1-ethyl-3-(1-methylcyclopentyl)urea

C9H18N2O — CID 115611109

IUPAC1-ethyl-3-(1-methylcyclopentyl)urea
SMILESCCNC(=O)NC1(C)CCCC1
InChIInChI=1S/C9H18N2O/c1-3-10-8(12)11-9(2)6-4-5-7-9/h3-7H2,1-2H3,(H2,10,11,12)
InChIKeyUPCLALUATJWNPW-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.64
Rot. Bonds2

About 1-ethyl-3-(1-methylcyclopentyl)urea

1-ethyl-3-(1-methylcyclopentyl)urea (PubChem CID 115611109) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-ethyl-3-(1-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-methylcyclopentyl)urea
PubChem CID115611109
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-ethyl-3-(1-methylcyclopentyl)urea
SMILESCCNC(=O)NC1(C)CCCC1
InChIInChI=1S/C9H18N2O/c1-3-10-8(12)11-9(2)6-4-5-7-9/h3-7H2,1-2H3,(H2,10,11,12)
InChIKeyUPCLALUATJWNPW-UHFFFAOYSA-N
XLogP1.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze 1-ethyl-3-(1-methylcyclopentyl)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-Tert-butyl-3-[[2-(tert-butylcarbamoylamino)cyclopentyl]methyl]urea
CID 304902
N-butyl-N'-cyclopentylurea
CID 4150224
Urea, (1-ethylcyclopentyl)-
CID 199195
N-(2-Ethylhexyl)urea
CID 533894
3-(2-Butylcyclopentyl)-1-ethyl-1-methylurea
CID 56801089
1-(cyclopentylmethyl)-3-[(1S)-1-cyclopropylethyl]urea
CID 96471073
1-[[(1R)-2,2-difluorocyclopentyl]methyl]-3-propan-2-ylurea
CID 164639619
1-(2-Fluoroethyl)-3-(3-methylcyclopentyl)urea
CID 89139721
1-[[1-(Dimethylamino)cyclopentyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113223442
1-[1-(Aminomethyl)cyclopentyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 113462967
1-(1-Methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
CID 115611086
1-(1-Cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115626647

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methylcyclopentyl)urea?
The IUPAC name of 1-ethyl-3-(1-methylcyclopentyl)urea (CID 115611109) is 1-ethyl-3-(1-methylcyclopentyl)urea.
What is the SMILES notation for 1-ethyl-3-(1-methylcyclopentyl)urea?
The canonical SMILES for 1-ethyl-3-(1-methylcyclopentyl)urea is CCNC(=O)NC1(C)CCCC1.
What is the InChIKey of 1-ethyl-3-(1-methylcyclopentyl)urea?
The InChIKey is UPCLALUATJWNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-10-8(12)11-9(2)6-4-5-7-9/h3-7H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-ethyl-3-(1-methylcyclopentyl)urea?
1-ethyl-3-(1-methylcyclopentyl)urea has a molecular weight of 170.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methylcyclopentyl)urea is sourced from PubChem (CID 115611109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).