(3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine

C13H17N — CID 142924212

IUPAC(3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
SMILESC=C/C=C(/C=C)C(=C)/C=C(\C)C(=C)N
InChIInChI=1S/C13H17N/c1-6-8-13(7-2)11(4)9-10(3)12(5)14/h6-9H,1-2,4-5,14H2,3H3/b10-9+,13-8-
InChIKeyXYJQIPMXILKQHW-YFWLALPLSA-N
MW187.29 g/mol
LogP3.26
Rot. Bonds5

About (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine

(3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine (PubChem CID 142924212) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine.

Molecular Properties

Compound Name(3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
PubChem CID142924212
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
SMILESC=C/C=C(/C=C)C(=C)/C=C(\C)C(=C)N
InChIInChI=1S/C13H17N/c1-6-8-13(7-2)11(4)9-10(3)12(5)14/h6-9H,1-2,4-5,14H2,3H3/b10-9+,13-8-
InChIKeyXYJQIPMXILKQHW-YFWLALPLSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-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 (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine?
The IUPAC name of (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine (CID 142924212) is (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine.
What is the SMILES notation for (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine?
The canonical SMILES for (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine is C=C/C=C(/C=C)C(=C)/C=C(\C)C(=C)N.
What is the InChIKey of (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine?
The InChIKey is XYJQIPMXILKQHW-YFWLALPLSA-N. The full InChI is InChI=1S/C13H17N/c1-6-8-13(7-2)11(4)9-10(3)12(5)14/h6-9H,1-2,4-5,14H2,3H3/b10-9+,13-8-.
What are the key properties of (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine?
(3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine has a molecular weight of 187.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-6-ethenyl-3-methyl-5-methylidenenona-1,3,6,8-tetraen-2-amine is sourced from PubChem (CID 142924212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).