1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea

C16H30N2O — CID 661085

IUPAC1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea
SMILESCC(C)=CCC(C)(C)CNC(=O)NC1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(2)10-11-16(3,4)12-17-15(19)18-14-8-6-5-7-9-14/h10,14H,5-9,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyHBEDAKQHTXRWMU-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.00
Rot. Bonds5

About 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea

1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea (PubChem CID 661085) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea
PubChem CID661085
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea
SMILESCC(C)=CCC(C)(C)CNC(=O)NC1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13(2)10-11-16(3,4)12-17-15(19)18-14-8-6-5-7-9-14/h10,14H,5-9,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyHBEDAKQHTXRWMU-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea (CID 661085) is 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea is CC(C)=CCC(C)(C)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea?
The InChIKey is HBEDAKQHTXRWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)10-11-16(3,4)12-17-15(19)18-14-8-6-5-7-9-14/h10,14H,5-9,11-12H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea?
1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea has a molecular weight of 266.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea is sourced from PubChem (CID 661085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).