1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea

C14H26N2O — CID 3509022

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O/c1-2-3-7-11-15-14(17)16-12-10-13-8-5-4-6-9-13/h8H,2-7,9-12H2,1H3,(H2,15,16,17)
InChIKeyJZJYVDVSXWIJRU-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.37
Rot. Bonds7

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

1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea (PubChem CID 3509022) 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-pentylurea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea
PubChem CID3509022
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H26N2O/c1-2-3-7-11-15-14(17)16-12-10-13-8-5-4-6-9-13/h8H,2-7,9-12H2,1H3,(H2,15,16,17)
InChIKeyJZJYVDVSXWIJRU-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea (CID 3509022) is 1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea is CCCCCNC(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea?
The InChIKey is JZJYVDVSXWIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-3-7-11-15-14(17)16-12-10-13-8-5-4-6-9-13/h8H,2-7,9-12H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea?
1-[2-(cyclohexen-1-yl)ethyl]-3-pentylurea has a molecular weight of 238.37 g/mol, XLogP of 3.37, 7 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-pentylurea is sourced from PubChem (CID 3509022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).