tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate

C16H32N2O2 — CID 103729545

IUPACtert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-13(14-9-7-6-8-10-14)17-11-12-18(5)15(19)20-16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyZIBRVSARWBWIBZ-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate

tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate (PubChem CID 103729545) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
PubChem CID103729545
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate
SMILESCC(NCCN(C)C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-13(14-9-7-6-8-10-14)17-11-12-18(5)15(19)20-16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyZIBRVSARWBWIBZ-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate 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-[2-(1-cyclopentylethylamino)ethyl]-N-cyclopropylcarbamate
CID 107246341
tert-butyl N-[2-(dicyclopropylmethylamino)ethyl]-N-methylcarbamate
CID 103780550
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
tert-butyl N-[2-(butan-2-ylamino)ethyl]-N-methylcarbamate
CID 115716335
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-[(2R,3S)-2-amino-3-cyclohexyl-3-hydroxypropyl]-N-methylcarbamate
CID 59201362
tert-butyl N-methyl-N-[3-(propan-2-ylamino)propyl]carbamate
CID 86663469
tert-butyl N-cyclopropyl-N-[2-[1-(1-methylpiperidin-4-yl)ethylamino]ethyl]carbamate
CID 103780903
tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245567
tert-butyl N-methyl-N-[2-(5-methylhexan-2-ylamino)ethyl]carbamate
CID 103780595

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate (CID 103729545) is tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate is CC(NCCN(C)C(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate?
The InChIKey is ZIBRVSARWBWIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(14-9-7-6-8-10-14)17-11-12-18(5)15(19)20-16(2,3)4/h13-14,17H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-cyclohexylethylamino)ethyl]-N-methylcarbamate is sourced from PubChem (CID 103729545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).