3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine

3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine

CAS: 1245794-60-8

Formula: C13H18N2

SMILES: NC1C2CC1CN(CC1=CC=CC=C1)C2

IUPAC: 3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine

InChI: InChI=1/C13H18N2/c14-13-11-6-12(13)9-15(8-11)7-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2

Composition: C (77.18%), H (8.97%), N (13.85%)

Molar Mass: 202.301

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	202.146998588
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PZBJODSAGVQRDZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.41
Topological Polar Surface Area	29.26
Polarizability	24.86
Ring Count	3
Rotatable Bond Count	2

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