(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine

C16H28N2 — CID 20730842

IUPAC(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
SMILESCC1CCC(/C=N/N=C/C2CCC(C)CC2)CC1
InChIInChI=1S/C16H28N2/c1-13-3-7-15(8-4-13)11-17-18-12-16-9-5-14(2)6-10-16/h11-16H,3-10H2,1-2H3/b17-11+,18-12+
InChIKeyGRNRHTWLVJWGQN-JYFOCSDGSA-N
MW248.41 g/mol
LogP4.70
Rot. Bonds3

About (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine

(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine (PubChem CID 20730842) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
PubChem CID20730842
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
SMILESCC1CCC(/C=N/N=C/C2CCC(C)CC2)CC1
InChIInChI=1S/C16H28N2/c1-13-3-7-15(8-4-13)11-17-18-12-16-9-5-14(2)6-10-16/h11-16H,3-10H2,1-2H3/b17-11+,18-12+
InChIKeyGRNRHTWLVJWGQN-JYFOCSDGSA-N
XLogP4.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine (CID 20730842) is (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine is CC1CCC(/C=N/N=C/C2CCC(C)CC2)CC1.
What is the InChIKey of (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine?
The InChIKey is GRNRHTWLVJWGQN-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H28N2/c1-13-3-7-15(8-4-13)11-17-18-12-16-9-5-14(2)6-10-16/h11-16H,3-10H2,1-2H3/b17-11+,18-12+.
What are the key properties of (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine?
(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine has a molecular weight of 248.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine is sourced from PubChem (CID 20730842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).