1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea

C14H26N2O — CID 108902589

IUPAC1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NCC1CCCC1
InChIInChI=1S/C14H26N2O/c1-11-6-2-5-9-13(11)16-14(17)15-10-12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H2,15,16,17)
InChIKeyAPZHLOAWTKXACQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.05
Rot. Bonds3

About 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea

1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea (PubChem CID 108902589) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
PubChem CID108902589
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NCC1CCCC1
InChIInChI=1S/C14H26N2O/c1-11-6-2-5-9-13(11)16-14(17)15-10-12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H2,15,16,17)
InChIKeyAPZHLOAWTKXACQ-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 95312621
1-(2-methoxyethyl)-3-(2-methylcyclohexyl)urea
CID 47133656
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
1-cyclododecyl-3-(cyclohexylmethyl)urea
CID 108902864
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-(cycloheptylmethyl)-3-[(3S,4R)-4-hydroxyoxolan-3-yl]urea
CID 164636917
2-hydroxy-4-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 114007129
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea (CID 108902589) is 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)NCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea?
The InChIKey is APZHLOAWTKXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-2-5-9-13(11)16-14(17)15-10-12-7-3-4-8-12/h11-13H,2-10H2,1H3,(H2,15,16,17).
What are the key properties of 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea?
1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea has a molecular weight of 238.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 108902589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).