2-(azepane-1-carbonyl)aniline

2-(azepane-1-carbonyl)aniline

CAS: 159180-54-8

Formula: C13H18N2O

SMILES: NC1=C(C=CC=C1)C(=O)N1CCCCCC1

IUPAC: 2-(azepane-1-carbonyl)aniline

InChI: InChI=1S/C13H18N2O/c14-12-8-4-3-7-11(12)13(16)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10,14H2

Composition: C (71.53%), H (8.31%), N (12.83%), O (7.33%)

Molar Mass: 218.3

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	218.141913208
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IYVSAXXHASZZBO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.37
Topological Polar Surface Area	46.33
Polarizability	24.62
Ring Count	2
Rotatable Bond Count	1

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