1-cyclopentyl-3-propylurea

C9H18N2O — CID 14343339

IUPAC1-cyclopentyl-3-propylurea
SMILESCCCNC(=O)NC1CCCC1
InChIInChI=1S/C9H18N2O/c1-2-7-10-9(12)11-8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyAZRLFUBEEJRTEB-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.64
Rot. Bonds3

About 1-cyclopentyl-3-propylurea

1-cyclopentyl-3-propylurea (PubChem CID 14343339) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-cyclopentyl-3-propylurea.

Molecular Properties

Compound Name1-cyclopentyl-3-propylurea
PubChem CID14343339
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-cyclopentyl-3-propylurea
SMILESCCCNC(=O)NC1CCCC1
InChIInChI=1S/C9H18N2O/c1-2-7-10-9(12)11-8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyAZRLFUBEEJRTEB-UHFFFAOYSA-N
XLogP1.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
1-cyclohexyl-3-[2-(ethylamino)ethyl]urea
CID 62663846
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
2-(cyclohexylcarbamoylamino)-N-propylpropanamide
CID 47112302
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-cyclohexyl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664578
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-(2-azidoethyl)-3-cyclohexylurea
CID 61342514
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
3-(cyclobutylcarbamoylamino)-N-methylpropanamide
CID 115617988

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-propylurea?
The IUPAC name of 1-cyclopentyl-3-propylurea (CID 14343339) is 1-cyclopentyl-3-propylurea.
What is the SMILES notation for 1-cyclopentyl-3-propylurea?
The canonical SMILES for 1-cyclopentyl-3-propylurea is CCCNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-propylurea?
The InChIKey is AZRLFUBEEJRTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-7-10-9(12)11-8-5-3-4-6-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclopentyl-3-propylurea?
1-cyclopentyl-3-propylurea has a molecular weight of 170.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-propylurea is sourced from PubChem (CID 14343339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).