1-cyclopentyl-3-(1-methylcyclohexyl)urea

C13H24N2O — CID 115631040

IUPAC1-cyclopentyl-3-(1-methylcyclohexyl)urea
SMILESCC1(NC(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C13H24N2O/c1-13(9-5-2-6-10-13)15-12(16)14-11-7-3-4-8-11/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyRCZJHJCQBGKHOI-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.95
Rot. Bonds2

About 1-cyclopentyl-3-(1-methylcyclohexyl)urea

1-cyclopentyl-3-(1-methylcyclohexyl)urea (PubChem CID 115631040) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-methylcyclohexyl)urea
PubChem CID115631040
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-cyclopentyl-3-(1-methylcyclohexyl)urea
SMILESCC1(NC(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C13H24N2O/c1-13(9-5-2-6-10-13)15-12(16)14-11-7-3-4-8-11/h11H,2-10H2,1H3,(H2,14,15,16)
InChIKeyRCZJHJCQBGKHOI-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-methylcyclohexyl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-methylcyclohexyl)urea (CID 115631040) is 1-cyclopentyl-3-(1-methylcyclohexyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-methylcyclohexyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-methylcyclohexyl)urea is CC1(NC(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of 1-cyclopentyl-3-(1-methylcyclohexyl)urea?
The InChIKey is RCZJHJCQBGKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(9-5-2-6-10-13)15-12(16)14-11-7-3-4-8-11/h11H,2-10H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-(1-methylcyclohexyl)urea?
1-cyclopentyl-3-(1-methylcyclohexyl)urea has a molecular weight of 224.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-methylcyclohexyl)urea is sourced from PubChem (CID 115631040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).