1-butyl-3-(cyclohexylmethyl)urea

C12H24N2O — CID 58862991

IUPAC1-butyl-3-(cyclohexylmethyl)urea
SMILESCCCCNC(=O)NCC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-2-3-9-13-12(15)14-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H2,13,14,15)
InChIKeyUWUANAZVOZLVSD-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.67
Rot. Bonds5

About 1-butyl-3-(cyclohexylmethyl)urea

1-butyl-3-(cyclohexylmethyl)urea (PubChem CID 58862991) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butyl-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(cyclohexylmethyl)urea
PubChem CID58862991
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-butyl-3-(cyclohexylmethyl)urea
SMILESCCCCNC(=O)NCC1CCCCC1
InChIInChI=1S/C12H24N2O/c1-2-3-9-13-12(15)14-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H2,13,14,15)
InChIKeyUWUANAZVOZLVSD-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(cyclohexylmethyl)urea?
The IUPAC name of 1-butyl-3-(cyclohexylmethyl)urea (CID 58862991) is 1-butyl-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-butyl-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-butyl-3-(cyclohexylmethyl)urea is CCCCNC(=O)NCC1CCCCC1.
What is the InChIKey of 1-butyl-3-(cyclohexylmethyl)urea?
The InChIKey is UWUANAZVOZLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-9-13-12(15)14-10-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H2,13,14,15).
What are the key properties of 1-butyl-3-(cyclohexylmethyl)urea?
1-butyl-3-(cyclohexylmethyl)urea has a molecular weight of 212.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 58862991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).