1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea

C11H22N2O2 — CID 103722438

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
SMILESCCCNC(=O)NC1CCCCC1CO
InChIInChI=1S/C11H22N2O2/c1-2-7-12-11(15)13-10-6-4-3-5-9(10)8-14/h9-10,14H,2-8H2,1H3,(H2,12,13,15)
InChIKeyXUNRCVMJOSAXSO-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.25
Rot. Bonds4

About 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea

1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea (PubChem CID 103722438) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
PubChem CID103722438
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
SMILESCCCNC(=O)NC1CCCCC1CO
InChIInChI=1S/C11H22N2O2/c1-2-7-12-11(15)13-10-6-4-3-5-9(10)8-14/h9-10,14H,2-8H2,1H3,(H2,12,13,15)
InChIKeyXUNRCVMJOSAXSO-UHFFFAOYSA-N
XLogP1.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea 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-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
1-[3-(diethylamino)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630303
1-(2-aminocycloheptyl)-3-propylurea
CID 63258563
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630411
1-cyclopentyl-3-propylurea
CID 14343339
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
1-undecyl-3-[(1R)-2-(undecylcarbamoylamino)cyclohexyl]urea
CID 91230133
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111631178
1-[2-(hydroxymethyl)cyclohexyl]-3-[3-(3-methylpiperidin-1-yl)propyl]urea
CID 111630554

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea (CID 103722438) is 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea is CCCNC(=O)NC1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea?
The InChIKey is XUNRCVMJOSAXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-7-12-11(15)13-10-6-4-3-5-9(10)8-14/h9-10,14H,2-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea?
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea has a molecular weight of 214.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea is sourced from PubChem (CID 103722438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).