2-[(2,6-dimethylpyridin-4-yl)methyl]azepane

2-[(2,6-dimethylpyridin-4-yl)methyl]azepane

CAS: 881042-05-3

Formula: C14H22N2

SMILES: CC1=CC(CC2CCCCCN2)=CC(C)=N1

IUPAC: 2-[(2,6-dimethylpyridin-4-yl)methyl]azepane

InChI: InChI=1/C14H22N2/c1-11-8-13(9-12(2)16-11)10-14-6-4-3-5-7-15-14/h8-9,14-15H,3-7,10H2,1-2H3

Composition: C (77.01%), H (10.16%), N (12.83%)

Molar Mass: 218.344

Atom Count: 38

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	218.178298716
Formal Charge	0
FSP3	0.64
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SPGNEZQSVLUIBF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.5
Topological Polar Surface Area	24.92
Polarizability	26.6
Ring Count	2
Rotatable Bond Count	2

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