(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine

C20H33N — CID 131994387

IUPAC(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C(=C(C)C)C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H33N/c1-15(2)20(5-4-14-21)19-12-10-18(11-13-19)17-8-6-16(3)7-9-17/h4-5,14,16-19,21H,6-13H2,1-3H3/b5-4-,21-14+
InChIKeyJBDUBUPRSRGNOF-HFDMUDFHSA-N
MW287.49 g/mol
LogP6.16
Rot. Bonds4

About (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine

(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine (PubChem CID 131994387) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine
PubChem CID131994387
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C(=C(C)C)C1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H33N/c1-15(2)20(5-4-14-21)19-12-10-18(11-13-19)17-8-6-16(3)7-9-17/h4-5,14,16-19,21H,6-13H2,1-3H3/b5-4-,21-14+
InChIKeyJBDUBUPRSRGNOF-HFDMUDFHSA-N
XLogP6.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine?
The IUPAC name of (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine (CID 131994387) is (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine is [H]/N=C/C=C\C(=C(C)C)C1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine?
The InChIKey is JBDUBUPRSRGNOF-HFDMUDFHSA-N. The full InChI is InChI=1S/C20H33N/c1-15(2)20(5-4-14-21)19-12-10-18(11-13-19)17-8-6-16(3)7-9-17/h4-5,14,16-19,21H,6-13H2,1-3H3/b5-4-,21-14+.
What are the key properties of (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine?
(2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine has a molecular weight of 287.49 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]hexa-2,4-dien-1-imine is sourced from PubChem (CID 131994387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).