1-methyl-3-(2-methylcyclopentyl)urea

C8H16N2O — CID 115613920

IUPAC1-methyl-3-(2-methylcyclopentyl)urea
SMILESCNC(=O)NC1CCCC1C
InChIInChI=1S/C8H16N2O/c1-6-4-3-5-7(6)10-8(11)9-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyZRIJNXDLHDKCBZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds1

About 1-methyl-3-(2-methylcyclopentyl)urea

1-methyl-3-(2-methylcyclopentyl)urea (PubChem CID 115613920) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-methyl-3-(2-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylcyclopentyl)urea
PubChem CID115613920
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-methyl-3-(2-methylcyclopentyl)urea
SMILESCNC(=O)NC1CCCC1C
InChIInChI=1S/C8H16N2O/c1-6-4-3-5-7(6)10-8(11)9-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyZRIJNXDLHDKCBZ-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Tert-butyl-3-[[2-(tert-butylcarbamoylamino)cyclopentyl]methyl]urea
CID 304902
N-butyl-N'-cyclopentylurea
CID 4150224
N-Cyclohexyl-N'-(3-propylhexan-2-yl)carbamimidic acid
CID 3040316
Ethylhexyl cyclohexyl urea
CID 4657034
N-(2-Ethylhexyl)urea
CID 533894
N-Cyclohexyl-N'-(1,2-dimethylpropyl)urea
CID 4059169
N-Cyclohexyl-N'-(1,3-dimethylbutyl)urea
CID 4123670
rac-3-methyl-1-((1R,2S)-2-methylcyclohexyl)urea
CID 138008216
1-(4-Ethylcyclohexyl)-3-propylurea
CID 6470789
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylcyclopentyl)urea?
The IUPAC name of 1-methyl-3-(2-methylcyclopentyl)urea (CID 115613920) is 1-methyl-3-(2-methylcyclopentyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methylcyclopentyl)urea?
The canonical SMILES for 1-methyl-3-(2-methylcyclopentyl)urea is CNC(=O)NC1CCCC1C.
What is the InChIKey of 1-methyl-3-(2-methylcyclopentyl)urea?
The InChIKey is ZRIJNXDLHDKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-4-3-5-7(6)10-8(11)9-2/h6-7H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-methyl-3-(2-methylcyclopentyl)urea?
1-methyl-3-(2-methylcyclopentyl)urea has a molecular weight of 156.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylcyclopentyl)urea is sourced from PubChem (CID 115613920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).