[2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate

C13H26N2O2 — CID 79337155

IUPAC[2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1CCCCC1CN
InChIInChI=1S/C13H26N2O2/c1-3-15(4-2)13(16)17-10-12-8-6-5-7-11(12)9-14/h11-12H,3-10,14H2,1-2H3
InChIKeyPNBIDGTZIDSRMS-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.23
Rot. Bonds5

About [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate

[2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate (PubChem CID 79337155) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate
PubChem CID79337155
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1CCCCC1CN
InChIInChI=1S/C13H26N2O2/c1-3-15(4-2)13(16)17-10-12-8-6-5-7-11(12)9-14/h11-12H,3-10,14H2,1-2H3
InChIKeyPNBIDGTZIDSRMS-UHFFFAOYSA-N
XLogP2.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate 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

[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate
CID 79337568
[2-(aminomethyl)cyclopentyl] N,N-diethylcarbamate
CID 79338482
[2-(aminomethyl)cyclohexyl]methyl 2-methylpropyl carbonate
CID 79338390
[2-(hexanoyloxymethyl)cyclohexyl]methyl hexanoate
CID 101298144
methyl 3-[[2-(aminomethyl)cyclohexyl]methoxy]propanoate
CID 106940266
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
piperazin-2-ylmethyl N,N-diethylcarbamate
CID 57170882
[(1S,2S)-2-(octanoyloxymethyl)cyclohexyl]methyl octanoate
CID 10862202
cyclobutyl N,N-diethylcarbamate
CID 89379531
2-[[2-(aminomethyl)cyclopentyl]methoxy]propanoic acid
CID 106940301
[2-(2-methylprop-2-enoyloxymethyl)cyclohexyl]methyl 2-methylprop-2-enoate
CID 18956888
[(1S,2S)-2-ethylcyclopentyl]methyl acetate
CID 91697713

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate?
The IUPAC name of [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate (CID 79337155) is [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate?
The InChIKey is PNBIDGTZIDSRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-15(4-2)13(16)17-10-12-8-6-5-7-11(12)9-14/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate?
[2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate has a molecular weight of 242.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]methyl N,N-diethylcarbamate is sourced from PubChem (CID 79337155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).