3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea

C13H24N2O — CID 115597933

IUPAC3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
SMILESCN(CC1CCCC1)C(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O/c1-15(10-11-6-2-3-7-11)13(16)14-12-8-4-5-9-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyCCRKEYDSJNHIBO-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.76
Rot. Bonds3

About 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea

3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea (PubChem CID 115597933) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
PubChem CID115597933
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
SMILESCN(CC1CCCC1)C(=O)NC1CCCC1
InChIInChI=1S/C13H24N2O/c1-15(10-11-6-2-3-7-11)13(16)14-12-8-4-5-9-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyCCRKEYDSJNHIBO-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea 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

1-(cyclohexylmethyl)-1-methyl-3-(3-methylcyclohexyl)urea
CID 112837928
3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319422
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
1-(cyclopentylmethyl)-3-[(1S,2R)-2-ethylcyclohexyl]-1-methylurea
CID 99786912
3-cyclohexyl-1-(cyclohexylmethyl)-1-methylthiourea
CID 113224002
3-cyclobutyl-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 115672508
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
1-(2-aminoethyl)-3-cyclobutyl-1-methylurea
CID 82503265
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea
CID 116656057

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea (CID 115597933) is 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea is CN(CC1CCCC1)C(=O)NC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea?
The InChIKey is CCRKEYDSJNHIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15(10-11-6-2-3-7-11)13(16)14-12-8-4-5-9-12/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea?
3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea has a molecular weight of 224.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea is sourced from PubChem (CID 115597933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).