(E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine

C14H26N2 — CID 138702998

IUPAC(E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine
SMILESC=C/C(=C\C=N\CCC(C)C(C)C)C(C)N
InChIInChI=1S/C14H26N2/c1-6-14(13(5)15)8-10-16-9-7-12(4)11(2)3/h6,8,10-13H,1,7,9,15H2,2-5H3/b14-8+,16-10+
InChIKeyJLNVRZGUJHHOPJ-ZMBCDGQDSA-N
MW222.38 g/mol
LogP3.20
Rot. Bonds7

About (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine

(E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine (PubChem CID 138702998) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine.

Molecular Properties

Compound Name(E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine
PubChem CID138702998
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine
SMILESC=C/C(=C\C=N\CCC(C)C(C)C)C(C)N
InChIInChI=1S/C14H26N2/c1-6-14(13(5)15)8-10-16-9-7-12(4)11(2)3/h6,8,10-13H,1,7,9,15H2,2-5H3/b14-8+,16-10+
InChIKeyJLNVRZGUJHHOPJ-ZMBCDGQDSA-N
XLogP3.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine?
The IUPAC name of (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine (CID 138702998) is (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine.
What is the SMILES notation for (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine?
The canonical SMILES for (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine is C=C/C(=C\C=N\CCC(C)C(C)C)C(C)N.
What is the InChIKey of (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine?
The InChIKey is JLNVRZGUJHHOPJ-ZMBCDGQDSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-14(13(5)15)8-10-16-9-7-12(4)11(2)3/h6,8,10-13H,1,7,9,15H2,2-5H3/b14-8+,16-10+.
What are the key properties of (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine?
(E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine has a molecular weight of 222.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine is sourced from PubChem (CID 138702998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).