1-[(2-aminocyclohexyl)methyl]-3-ethylurea

C10H21N3O — CID 64927851

IUPAC1-[(2-aminocyclohexyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCC1CCCCC1N
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)13-7-8-5-3-4-6-9(8)11/h8-9H,2-7,11H2,1H3,(H2,12,13,14)
InChIKeyOCBXLSCPXXKRFE-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds3

About 1-[(2-aminocyclohexyl)methyl]-3-ethylurea

1-[(2-aminocyclohexyl)methyl]-3-ethylurea (PubChem CID 64927851) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[(2-aminocyclohexyl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2-aminocyclohexyl)methyl]-3-ethylurea
PubChem CID64927851
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[(2-aminocyclohexyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCC1CCCCC1N
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)13-7-8-5-3-4-6-9(8)11/h8-9H,2-7,11H2,1H3,(H2,12,13,14)
InChIKeyOCBXLSCPXXKRFE-UHFFFAOYSA-N
XLogP0.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2-aminocyclohexyl)methyl]-3-ethylurea 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-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051
N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
N-[(2-aminocyclohexyl)methyl]-3-ethoxypropanamide
CID 64927440
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
1-[(2-aminocyclohexyl)methyl]-3-(2-methoxyphenyl)urea
CID 64929037
(1S)-2-(methylaminomethyl)cyclohexan-1-amine
CID 129138174
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 55117202
N-[(2-aminocyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103022530
1-ethyl-3-[(5-methyloxolan-2-yl)methyl]urea
CID 130915059
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
CID 64928641
N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64928421

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminocyclohexyl)methyl]-3-ethylurea?
The IUPAC name of 1-[(2-aminocyclohexyl)methyl]-3-ethylurea (CID 64927851) is 1-[(2-aminocyclohexyl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(2-aminocyclohexyl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(2-aminocyclohexyl)methyl]-3-ethylurea is CCNC(=O)NCC1CCCCC1N.
What is the InChIKey of 1-[(2-aminocyclohexyl)methyl]-3-ethylurea?
The InChIKey is OCBXLSCPXXKRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-12-10(14)13-7-8-5-3-4-6-9(8)11/h8-9H,2-7,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-[(2-aminocyclohexyl)methyl]-3-ethylurea?
1-[(2-aminocyclohexyl)methyl]-3-ethylurea has a molecular weight of 199.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminocyclohexyl)methyl]-3-ethylurea is sourced from PubChem (CID 64927851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).