1-(4-benzyl-1,4-oxazepan-2-yl)methanamine

1-(4-benzyl-1,4-oxazepan-2-yl)methanamine

CAS: 112925-36-7

Formula: C13H20N2O

SMILES: NCC1CN(CC2=CC=CC=C2)CCCO1

IUPAC: 1-(4-benzyl-1,4-oxazepan-2-yl)methanamine

InChI: InChI=1/C13H20N2O/c14-9-13-11-15(7-4-8-16-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2

Composition: C (70.87%), H (9.15%), N (12.72%), O (7.26%)

Molar Mass: 220.316

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	220.157563272
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XUZFLQOWHVNBQZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.16
Topological Polar Surface Area	38.49
Polarizability	26.25
Ring Count	2
Rotatable Bond Count	3

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