tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate

C14H26N2O2 — CID 154998041

IUPACtert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCCNCC1)C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(12-6-7-12)11-5-4-9-15-10-8-11/h11-12,15H,4-10H2,1-3H3
InChIKeyLWKTWTRDUHCULU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.53
Rot. Bonds2

About tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate

tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate (PubChem CID 154998041) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
PubChem CID154998041
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCCNCC1)C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(12-6-7-12)11-5-4-9-15-10-8-11/h11-12,15H,4-10H2,1-3H3
InChIKeyLWKTWTRDUHCULU-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-(oxetan-3-yl)-N-piperidin-4-ylcarbamate
CID 67227612
tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate
CID 67191248
tert-butyl N-[(2R)-2-phenylcyclopropyl]-N-piperidin-4-ylcarbamate
CID 166765265
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
tert-butyl N-(4-methylcyclohexyl)-N-(oxan-4-yl)carbamate
CID 155630413
tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate
CID 84711204
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 135076172
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate
CID 165457622

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate (CID 154998041) is tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(C1CCCNCC1)C1CC1.
What is the InChIKey of tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate?
The InChIKey is LWKTWTRDUHCULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16(12-6-7-12)11-5-4-9-15-10-8-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate?
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate has a molecular weight of 254.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate is sourced from PubChem (CID 154998041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).