tert-butyl N-[(3R)-azepan-3-yl]carbamate

tert-butyl N-[(3R)-azepan-3-yl]carbamate

CAS: 1354351-56-6

Formula: C11H22N2O2

SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCCNC1

IUPAC: tert-butyl N-[(3R)-azepan-3-yl]carbamate

InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-7-12-8-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m1/s1

Composition: C (61.65%), H (10.35%), N (13.07%), O (14.93%)

Molar Mass: 214.309

Atom Count: 37

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	214.168127956
Formal Charge	0
FSP3	0.91
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NZEPWAXJSWYEDV-SECBINFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.33
Topological Polar Surface Area	50.36
Polarizability	23.69
Ring Count	1
Rotatable Bond Count	3

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