4-(azepan-1-ylmethyl)aniline

4-(azepan-1-ylmethyl)aniline

CAS: 251552-19-9

Formula: C13H20N2

SMILES: NC1=CC=C(CN2CCCCCC2)C=C1

IUPAC: 4-[(azepan-1-yl)methyl]aniline

InChI: InChI=1S/C13H20N2/c14-13-7-5-12(6-8-13)11-15-9-3-1-2-4-10-15/h5-8H,1-4,9-11,14H2

Composition: C (76.42%), H (9.87%), N (13.71%)

Molar Mass: 204.317

Atom Count: 35

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.162648652
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SGMPFYOXEVRSHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.04
Topological Polar Surface Area	29.26
Polarizability	25.2
Ring Count	2
Rotatable Bond Count	2

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