N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine

C18H29N — CID 91451462

IUPACN-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine
SMILESC=NC1CCC(C=CC2CCC(C(=C)C)CC2)CC1
InChIInChI=1S/C18H29N/c1-14(2)17-10-6-15(7-11-17)4-5-16-8-12-18(19-3)13-9-16/h4-5,15-18H,1,3,6-13H2,2H3
InChIKeySNJDRVQLLFBTTQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.18
Rot. Bonds4

About N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine

N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine (PubChem CID 91451462) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine.

Molecular Properties

Compound NameN-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine
PubChem CID91451462
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine
SMILESC=NC1CCC(C=CC2CCC(C(=C)C)CC2)CC1
InChIInChI=1S/C18H29N/c1-14(2)17-10-6-15(7-11-17)4-5-16-8-12-18(19-3)13-9-16/h4-5,15-18H,1,3,6-13H2,2H3
InChIKeySNJDRVQLLFBTTQ-UHFFFAOYSA-N
XLogP5.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.18
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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Related Compounds

N-[1-methyl-4-(7-methylocta-2,4-dien-2-yl)cyclohexyl]methanimine
CID 162966383
5-[(E)-2-(4-ethylcyclohexyl)ethenyl]-1,3-difluoro-2-isothiocyanatocyclohexane
CID 140442150
2-fluoro-1-isothiocyanato-4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexane
CID 140442153
4-[(E)-2-(4-ethylcyclohexyl)ethenyl]-2-fluoro-1-isothiocyanatocyclohexane
CID 140442154
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
1-Isothiocyanato-4-[4-[2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 89201346
1-isothiocyanato-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane
CID 89201350
N-[4-(4-prop-1-en-2-ylcyclohexyl)cyclohex-3-en-1-yl]methanimine
CID 90899690
N-[4-(4-ethenylcyclohexyl)cyclohex-3-en-1-yl]ethanimine
CID 90947762
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
CID 91145112
N-[4-[(4-ethenylcyclohexyl)methyl]cyclohexyl]methanimine
CID 134374964
methane;N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine;vanadium
CID 160692518

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine?
The IUPAC name of N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine (CID 91451462) is N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine.
What is the SMILES notation for N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine?
The canonical SMILES for N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine is C=NC1CCC(C=CC2CCC(C(=C)C)CC2)CC1.
What is the InChIKey of N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine?
The InChIKey is SNJDRVQLLFBTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)17-10-6-15(7-11-17)4-5-16-8-12-18(19-3)13-9-16/h4-5,15-18H,1,3,6-13H2,2H3.
What are the key properties of N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine?
N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine has a molecular weight of 259.44 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]methanimine is sourced from PubChem (CID 91451462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).