4-ethylideneheptan-1-imine

C9H17N — CID 123236450

IUPAC4-ethylideneheptan-1-imine
SMILES[H]/N=C/CCC(=CC)CCC
InChIInChI=1S/C9H17N/c1-3-6-9(4-2)7-5-8-10/h4,8,10H,3,5-7H2,1-2H3/b9-4?,10-8+
InChIKeyFNSWQRPDLZCWMP-YPSIGGKASA-N
MW139.24 g/mol
LogP3.16
Rot. Bonds5

About 4-ethylideneheptan-1-imine

4-ethylideneheptan-1-imine (PubChem CID 123236450) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-ethylideneheptan-1-imine.

Molecular Properties

Compound Name4-ethylideneheptan-1-imine
PubChem CID123236450
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-ethylideneheptan-1-imine
SMILES[H]/N=C/CCC(=CC)CCC
InChIInChI=1S/C9H17N/c1-3-6-9(4-2)7-5-8-10/h4,8,10H,3,5-7H2,1-2H3/b9-4?,10-8+
InChIKeyFNSWQRPDLZCWMP-YPSIGGKASA-N
XLogP3.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Iminosqualene
CID 129661666
(E)-2-fluoro-5-methylhept-4-en-1-imine
CID 89953267
(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine
CID 146318082
(E)-octadec-9-en-1-imine
CID 19602050
Oct-3-en-1-imine
CID 53787635
Dodec-2-en-1-imine
CID 54566412
2-Methyldec-3-en-1-imine
CID 57110449
Octadec-3-en-1-imine
CID 57154526
6-Ethylideneundecan-1-imine
CID 87825837
(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine
CID 88881826
(Z)-4-ethenylhept-4-en-1-imine
CID 88992986
(Z)-[(2E)-2-ethylideneheptylidene]hydrazine
CID 89063154

Frequently Asked Questions

What is the IUPAC name of 4-ethylideneheptan-1-imine?
The IUPAC name of 4-ethylideneheptan-1-imine (CID 123236450) is 4-ethylideneheptan-1-imine.
What is the SMILES notation for 4-ethylideneheptan-1-imine?
The canonical SMILES for 4-ethylideneheptan-1-imine is [H]/N=C/CCC(=CC)CCC.
What is the InChIKey of 4-ethylideneheptan-1-imine?
The InChIKey is FNSWQRPDLZCWMP-YPSIGGKASA-N. The full InChI is InChI=1S/C9H17N/c1-3-6-9(4-2)7-5-8-10/h4,8,10H,3,5-7H2,1-2H3/b9-4?,10-8+.
What are the key properties of 4-ethylideneheptan-1-imine?
4-ethylideneheptan-1-imine has a molecular weight of 139.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylideneheptan-1-imine is sourced from PubChem (CID 123236450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).