tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate

C17H34N2O2 — CID 10590220

IUPACtert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNC1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-17(2,3)21-16(20)19-14-10-5-4-9-13-18-15-11-7-6-8-12-15/h15,18H,4-14H2,1-3H3,(H,19,20)
InChIKeyDPQNIMVMCIYKNE-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.99
Rot. Bonds8

About tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate

tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate (PubChem CID 10590220) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
PubChem CID10590220
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCCNC1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-17(2,3)21-16(20)19-14-10-5-4-9-13-18-15-11-7-6-8-12-15/h15,18H,4-14H2,1-3H3,(H,19,20)
InChIKeyDPQNIMVMCIYKNE-UHFFFAOYSA-N
XLogP3.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate 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-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
N-cyclohexylcyclohexanamine;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 131863507
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl N-[5-[2-[2-[5-(cyclohexanecarbonylamino)pentoxy]ethoxy]ethoxy]pentyl]carbamate
CID 142616129
tert-butyl N-[3-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate?
The IUPAC name of tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate (CID 10590220) is tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate?
The canonical SMILES for tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate is CC(C)(C)OC(=O)NCCCCCCNC1CCCCC1.
What is the InChIKey of tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate?
The InChIKey is DPQNIMVMCIYKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-17(2,3)21-16(20)19-14-10-5-4-9-13-18-15-11-7-6-8-12-15/h15,18H,4-14H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate?
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate is sourced from PubChem (CID 10590220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).