(1-aminocyclohexyl)methyl N,N-diethylcarbamate

C12H24N2O2 — CID 79338374

IUPAC(1-aminocyclohexyl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1(N)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-3-14(4-2)11(15)16-10-12(13)8-6-5-7-9-12/h3-10,13H2,1-2H3
InChIKeyPIVCKIGLPMJFPC-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.13
Rot. Bonds4

About (1-aminocyclohexyl)methyl N,N-diethylcarbamate

(1-aminocyclohexyl)methyl N,N-diethylcarbamate (PubChem CID 79338374) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1-aminocyclohexyl)methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name(1-aminocyclohexyl)methyl N,N-diethylcarbamate
PubChem CID79338374
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(1-aminocyclohexyl)methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC1(N)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-3-14(4-2)11(15)16-10-12(13)8-6-5-7-9-12/h3-10,13H2,1-2H3
InChIKeyPIVCKIGLPMJFPC-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclohexyl)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-(1-aminocyclohexyl)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992933
2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 64677265
(1-aminocycloheptyl)methyl propan-2-yl carbonate
CID 79337960
2-[(1-aminocycloheptyl)methoxy]-N-cyclopropyl-N-ethylacetamide
CID 64548752
2-(1-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 64685073
2-(1-aminocyclopentyl)-N-ethyl-N-propylacetamide
CID 64684374
2-[(1-aminocyclohexyl)methoxy]butanoic acid
CID 106940020
(1-aminocyclopentyl)methyl 2-methylpropyl carbonate
CID 79337036
ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate
CID 106940160
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
2-(1-aminocyclopentyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 64677838
(1-aminocyclopropyl)methyl acetate
CID 150213578

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)methyl N,N-diethylcarbamate?
The IUPAC name of (1-aminocyclohexyl)methyl N,N-diethylcarbamate (CID 79338374) is (1-aminocyclohexyl)methyl N,N-diethylcarbamate.
What is the SMILES notation for (1-aminocyclohexyl)methyl N,N-diethylcarbamate?
The canonical SMILES for (1-aminocyclohexyl)methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)methyl N,N-diethylcarbamate?
The InChIKey is PIVCKIGLPMJFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14(4-2)11(15)16-10-12(13)8-6-5-7-9-12/h3-10,13H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)methyl N,N-diethylcarbamate?
(1-aminocyclohexyl)methyl N,N-diethylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)methyl N,N-diethylcarbamate is sourced from PubChem (CID 79338374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).