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3-benzyl-3,9-diazaspiro[5.5]undecane

3-benzyl-3,9-diazaspiro[5.5]undecane

CAS: 189333-49-1

Formula: C16H24N2

SMILES: C(N1CCC2(CCNCC2)CC1)C1=CC=CC=C1

IUPAC: 3-benzyl-3,9-diazaspiro[5.5]undecane

InChI: InChI=1S/C16H24N2/c1-2-4-15(5-3-1)14-18-12-8-16(9-13-18)6-10-17-11-7-16/h1-5,17H,6-14H2

Composition: C (78.64%), H (9.90%), N (11.46%)

Molar Mass: 244.382

Atom Count: 42

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 244.193948781
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DKRVXLMWXJFVEJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77
Topological Polar Surface Area 15.27
Polarizability 30.4
Ring Count 3
Rotatable Bond Count 2

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