5-methylideneoctan-4-imine

C9H17N — CID 123917941

IUPAC5-methylideneoctan-4-imine
SMILES[H]/N=C(\CCC)C(=C)CCC
InChIInChI=1S/C9H17N/c1-4-6-8(3)9(10)7-5-2/h10H,3-7H2,1-2H3/b10-9+
InChIKeyWGFJUUDDPQATNE-MDZDMXLPSA-N
MW139.24 g/mol
LogP3.16
Rot. Bonds5

About 5-methylideneoctan-4-imine

5-methylideneoctan-4-imine (PubChem CID 123917941) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5-methylideneoctan-4-imine.

Molecular Properties

Compound Name5-methylideneoctan-4-imine
PubChem CID123917941
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5-methylideneoctan-4-imine
SMILES[H]/N=C(\CCC)C(=C)CCC
InChIInChI=1S/C9H17N/c1-4-6-8(3)9(10)7-5-2/h10H,3-7H2,1-2H3/b10-9+
InChIKeyWGFJUUDDPQATNE-MDZDMXLPSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylideneoctan-4-imine?
The IUPAC name of 5-methylideneoctan-4-imine (CID 123917941) is 5-methylideneoctan-4-imine.
What is the SMILES notation for 5-methylideneoctan-4-imine?
The canonical SMILES for 5-methylideneoctan-4-imine is [H]/N=C(\CCC)C(=C)CCC.
What is the InChIKey of 5-methylideneoctan-4-imine?
The InChIKey is WGFJUUDDPQATNE-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-8(3)9(10)7-5-2/h10H,3-7H2,1-2H3/b10-9+.
What are the key properties of 5-methylideneoctan-4-imine?
5-methylideneoctan-4-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 5-methylideneoctan-4-imine is sourced from PubChem (CID 123917941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).