1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea

C15H30N2O2 — CID 111503873

IUPAC1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NCCCC(C)(C)CO
InChIInChI=1S/C15H30N2O2/c1-12-7-4-5-8-13(12)17-14(19)16-10-6-9-15(2,3)11-18/h12-13,18H,4-11H2,1-3H3,(H2,16,17,19)
InChIKeyRTPKSHZWHXTCRW-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.66
Rot. Bonds6

About 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea

1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea (PubChem CID 111503873) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea
PubChem CID111503873
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NCCCC(C)(C)CO
InChIInChI=1S/C15H30N2O2/c1-12-7-4-5-8-13(12)17-14(19)16-10-6-9-15(2,3)11-18/h12-13,18H,4-11H2,1-3H3,(H2,16,17,19)
InChIKeyRTPKSHZWHXTCRW-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
1-(4-ethylcyclohexyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111505061
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
1-(2-methoxyethyl)-3-(2-methylcyclohexyl)urea
CID 47133656
1-(cyclopentylmethyl)-3-(2-methylcyclohexyl)urea
CID 108902589
2-hydroxy-4-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 114007129
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 111506246
3-methyl-3-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 64702589
1-cyclooctyl-3-(5-hydroxy-4,4-dimethylpentyl)-1-methylurea
CID 111755072
2-methyl-4-[(2-methylcycloheptyl)carbamoylamino]butanoic acid
CID 80541155
1-(5-hydroxy-4,4-dimethylpentyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631321

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea (CID 111503873) is 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)NCCCC(C)(C)CO.
What is the InChIKey of 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea?
The InChIKey is RTPKSHZWHXTCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-7-4-5-8-13(12)17-14(19)16-10-6-9-15(2,3)11-18/h12-13,18H,4-11H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea?
1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea has a molecular weight of 270.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-4,4-dimethylpentyl)-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 111503873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).