1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine

C17H31N — CID 134219978

IUPAC1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine
SMILESCCCC/C=C(\N=C(/C)C1CCCCC1)C(C)C
InChIInChI=1S/C17H31N/c1-5-6-8-13-17(14(2)3)18-15(4)16-11-9-7-10-12-16/h13-14,16H,5-12H2,1-4H3/b17-13-,18-15+
InChIKeyBIGCRMLXOFXANV-CIPKVAARSA-N
MW249.44 g/mol
LogP5.76
Rot. Bonds6

About 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine

1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine (PubChem CID 134219978) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine
PubChem CID134219978
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine
SMILESCCCC/C=C(\N=C(/C)C1CCCCC1)C(C)C
InChIInChI=1S/C17H31N/c1-5-6-8-13-17(14(2)3)18-15(4)16-11-9-7-10-12-16/h13-14,16H,5-12H2,1-4H3/b17-13-,18-15+
InChIKeyBIGCRMLXOFXANV-CIPKVAARSA-N
XLogP5.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine?
The IUPAC name of 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine (CID 134219978) is 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine.
What is the SMILES notation for 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine?
The canonical SMILES for 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine is CCCC/C=C(\N=C(/C)C1CCCCC1)C(C)C.
What is the InChIKey of 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine?
The InChIKey is BIGCRMLXOFXANV-CIPKVAARSA-N. The full InChI is InChI=1S/C17H31N/c1-5-6-8-13-17(14(2)3)18-15(4)16-11-9-7-10-12-16/h13-14,16H,5-12H2,1-4H3/b17-13-,18-15+.
What are the key properties of 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine?
1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine has a molecular weight of 249.44 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(Z)-2-methyloct-3-en-3-yl]ethanimine is sourced from PubChem (CID 134219978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).