(Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine

C24H40N2 — CID 90945175

IUPAC(Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine
SMILESCCCCCC/C=N\N=C/c1c(C)c(C)c(CCCCCC)c(C)c1C
InChIInChI=1S/C24H40N2/c1-7-9-11-13-15-17-25-26-18-24-21(5)19(3)23(20(4)22(24)6)16-14-12-10-8-2/h17-18H,7-16H2,1-6H3/b25-17-,26-18-
InChIKeyPHGPPTZUCCVDLE-MFYXSQMNSA-N
MW356.60 g/mol
LogP7.42
Rot. Bonds12

About (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine

(Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine (PubChem CID 90945175) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine
PubChem CID90945175
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name(Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine
SMILESCCCCCC/C=N\N=C/c1c(C)c(C)c(CCCCCC)c(C)c1C
InChIInChI=1S/C24H40N2/c1-7-9-11-13-15-17-25-26-18-24-21(5)19(3)23(20(4)22(24)6)16-14-12-10-8-2/h17-18H,7-16H2,1-6H3/b25-17-,26-18-
InChIKeyPHGPPTZUCCVDLE-MFYXSQMNSA-N
XLogP7.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine?
The IUPAC name of (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine (CID 90945175) is (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine?
The canonical SMILES for (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine is CCCCCC/C=N\N=C/c1c(C)c(C)c(CCCCCC)c(C)c1C.
What is the InChIKey of (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine?
The InChIKey is PHGPPTZUCCVDLE-MFYXSQMNSA-N. The full InChI is InChI=1S/C24H40N2/c1-7-9-11-13-15-17-25-26-18-24-21(5)19(3)23(20(4)22(24)6)16-14-12-10-8-2/h17-18H,7-16H2,1-6H3/b25-17-,26-18-.
What are the key properties of (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine?
(Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine has a molecular weight of 356.60 g/mol, XLogP of 7.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-(4-hexyl-2,3,5,6-tetramethylphenyl)methylideneamino]heptan-1-imine is sourced from PubChem (CID 90945175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).