1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea

C13H26N2O2 — CID 111841149

IUPAC1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)NC1CCCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-4-6-10(16)9-14-12(17)15-11-7-5-8-13(11,2)3/h10-11,16H,4-9H2,1-3H3,(H2,14,15,17)
InChIKeyZERXYHDJDLDUKU-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.03
Rot. Bonds5

About 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea

1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea (PubChem CID 111841149) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea
PubChem CID111841149
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea
SMILESCCCC(O)CNC(=O)NC1CCCC1(C)C
InChIInChI=1S/C13H26N2O2/c1-4-6-10(16)9-14-12(17)15-11-7-5-8-13(11,2)3/h10-11,16H,4-9H2,1-3H3,(H2,14,15,17)
InChIKeyZERXYHDJDLDUKU-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea 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-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111841147
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474536
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952
2-amino-N-(2,2-dimethylcyclohexyl)pentanamide
CID 79877969
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
CID 103831777
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 107817457
N-(2,2-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 79872575
(2S)-2-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
CID 107146309
N-(2,2-dimethylcyclopentyl)-2-sulfanylbutanamide
CID 131177062

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea (CID 111841149) is 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea is CCCC(O)CNC(=O)NC1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea?
The InChIKey is ZERXYHDJDLDUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-6-10(16)9-14-12(17)15-11-7-5-8-13(11,2)3/h10-11,16H,4-9H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea?
1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea has a molecular weight of 242.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea is sourced from PubChem (CID 111841149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).