N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine

C20H32N2 — CID 71330516

IUPACN-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine
SMILESCCCCC/C(C)=N/c1ccc(/N=C(\C)CCCCC)cc1
InChIInChI=1S/C20H32N2/c1-5-7-9-11-17(3)21-19-13-15-20(16-14-19)22-18(4)12-10-8-6-2/h13-16H,5-12H2,1-4H3/b21-17+,22-18+
InChIKeyZLFGKJQADVGIFQ-KSTNYAOJSA-N
MW300.49 g/mol
LogP7.03
Rot. Bonds10

About N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine

N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine (PubChem CID 71330516) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine.

Molecular Properties

Compound NameN-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine
PubChem CID71330516
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC NameN-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine
SMILESCCCCC/C(C)=N/c1ccc(/N=C(\C)CCCCC)cc1
InChIInChI=1S/C20H32N2/c1-5-7-9-11-17(3)21-19-13-15-20(16-14-19)22-18(4)12-10-8-6-2/h13-16H,5-12H2,1-4H3/b21-17+,22-18+
InChIKeyZLFGKJQADVGIFQ-KSTNYAOJSA-N
XLogP7.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 57.03
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine?
The IUPAC name of N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine (CID 71330516) is N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine.
What is the SMILES notation for N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine?
The canonical SMILES for N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine is CCCCC/C(C)=N/c1ccc(/N=C(\C)CCCCC)cc1.
What is the InChIKey of N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine?
The InChIKey is ZLFGKJQADVGIFQ-KSTNYAOJSA-N. The full InChI is InChI=1S/C20H32N2/c1-5-7-9-11-17(3)21-19-13-15-20(16-14-19)22-18(4)12-10-8-6-2/h13-16H,5-12H2,1-4H3/b21-17+,22-18+.
What are the key properties of N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine?
N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine has a molecular weight of 300.49 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(heptan-2-ylideneamino)phenyl]heptan-2-imine is sourced from PubChem (CID 71330516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).