1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea

C14H28N2O — CID 116656790

IUPAC1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(CC(C)C)CCCC1
InChIInChI=1S/C14H28N2O/c1-4-9-15-13(17)16-11-14(10-12(2)3)7-5-6-8-14/h12H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyGENHFYGXLQJSPB-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.30
Rot. Bonds6

About 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea

1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea (PubChem CID 116656790) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
PubChem CID116656790
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(CC(C)C)CCCC1
InChIInChI=1S/C14H28N2O/c1-4-9-15-13(17)16-11-14(10-12(2)3)7-5-6-8-14/h12H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyGENHFYGXLQJSPB-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea 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-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid
CID 80541329
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
1-butyl-3-[(1-ethylcyclobutyl)methyl]urea
CID 103740930
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119345128
3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 81085411
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
5-amino-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentanamide
CID 104685343
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea?
The IUPAC name of 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea (CID 116656790) is 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea?
The canonical SMILES for 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea is CCCNC(=O)NCC1(CC(C)C)CCCC1.
What is the InChIKey of 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea?
The InChIKey is GENHFYGXLQJSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-9-15-13(17)16-11-14(10-12(2)3)7-5-6-8-14/h12H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea?
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea has a molecular weight of 240.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea is sourced from PubChem (CID 116656790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).