N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine

C22H37N — CID 59916878

IUPACN-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
SMILESC=NC1CCC(/C=C/C2CCC(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H37N/c1-17-3-11-20(12-4-17)21-13-7-18(8-14-21)5-6-19-9-15-22(23-2)16-10-19/h5-6,17-22H,2-4,7-16H2,1H3/b6-5+
InChIKeyGZTSLCODKVQEKH-AATRIKPKSA-N
MW315.55 g/mol
LogP6.43
Rot. Bonds4

About N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine

N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine (PubChem CID 59916878) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
PubChem CID59916878
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
SMILESC=NC1CCC(/C=C/C2CCC(C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H37N/c1-17-3-11-20(12-4-17)21-13-7-18(8-14-21)5-6-19-9-15-22(23-2)16-10-19/h5-6,17-22H,2-4,7-16H2,1H3/b6-5+
InChIKeyGZTSLCODKVQEKH-AATRIKPKSA-N
XLogP6.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.43
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'}

Analyze N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine with MolForge

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Related Compounds

1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane
CID 134454006
N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503123
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010
2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane
CID 54078523
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
1-[4-[(1E,5E)-hepta-1,5-dienyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 59927398
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
CID 20730842
N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 163800957

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine?
The IUPAC name of N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine (CID 59916878) is N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine.
What is the SMILES notation for N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine?
The canonical SMILES for N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine is C=NC1CCC(/C=C/C2CCC(C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine?
The InChIKey is GZTSLCODKVQEKH-AATRIKPKSA-N. The full InChI is InChI=1S/C22H37N/c1-17-3-11-20(12-4-17)21-13-7-18(8-14-21)5-6-19-9-15-22(23-2)16-10-19/h5-6,17-22H,2-4,7-16H2,1H3/b6-5+.
What are the key properties of N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine?
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine has a molecular weight of 315.55 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine is sourced from PubChem (CID 59916878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).