N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine

C16H27N — CID 85299666

IUPACN-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine
SMILESCC(C)=CCCC(C)=C/C=N/C1CCCCC1
InChIInChI=1S/C16H27N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h8,12-13,16H,4-7,9-11H2,1-3H3/b15-12?,17-13+
InChIKeyUODVUXCLEHZKJE-ONENNTDASA-N
MW233.40 g/mol
LogP5.08
Rot. Bonds5

About N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine

N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine (PubChem CID 85299666) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine
PubChem CID85299666
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine
SMILESCC(C)=CCCC(C)=C/C=N/C1CCCCC1
InChIInChI=1S/C16H27N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h8,12-13,16H,4-7,9-11H2,1-3H3/b15-12?,17-13+
InChIKeyUODVUXCLEHZKJE-ONENNTDASA-N
XLogP5.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine?
The IUPAC name of N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine (CID 85299666) is N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine.
What is the SMILES notation for N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine?
The canonical SMILES for N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine is CC(C)=CCCC(C)=C/C=N/C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine?
The InChIKey is UODVUXCLEHZKJE-ONENNTDASA-N. The full InChI is InChI=1S/C16H27N/c1-14(2)8-7-9-15(3)12-13-17-16-10-5-4-6-11-16/h8,12-13,16H,4-7,9-11H2,1-3H3/b15-12?,17-13+.
What are the key properties of N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine?
N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine has a molecular weight of 233.40 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,7-dimethylocta-2,6-dien-1-imine is sourced from PubChem (CID 85299666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).