1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea

C14H26N2O — CID 110299684

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O/c1-12(2)8-10-15-14(17)16-11-9-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H2,15,16,17)
InChIKeyPLEIXSYQHNBMAZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.22
Rot. Bonds6

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea

1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea (PubChem CID 110299684) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
PubChem CID110299684
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O/c1-12(2)8-10-15-14(17)16-11-9-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H2,15,16,17)
InChIKeyPLEIXSYQHNBMAZ-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea 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

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945
(2S)-4-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107855990
5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 107856038
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea
CID 111120763
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 106178518
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-ethoxyethyl)urea
CID 86998860
methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoate
CID 3551359
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea (CID 110299684) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea is CC(C)CCNC(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea?
The InChIKey is PLEIXSYQHNBMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)8-10-15-14(17)16-11-9-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea has a molecular weight of 238.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea is sourced from PubChem (CID 110299684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).