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N-[(4-tert-butylphenyl)methyl]cyclopentanamine

N-[(4-tert-butylphenyl)methyl]cyclopentanamine

CAS: 1040686-74-5

Formula: C16H25N

SMILES: CC(C)(C)C1=CC=C(CNC2CCCC2)C=C1

IUPAC: N-[(4-tert-butylphenyl)methyl]cyclopentanamine

InChI: InChI=1S/C16H25N/c1-16(2,3)14-10-8-13(9-11-14)12-17-15-6-4-5-7-15/h8-11,15,17H,4-7,12H2,1-3H3

Composition: C (83.06%), H (10.89%), N (6.05%)

Molar Mass: 231.383

Atom Count: 42

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.198699809
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey PYPZMYBMLBUSCO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.39
Topological Polar Surface Area 12.03
Polarizability 29.54
Ring Count 2
Rotatable Bond Count 4

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