(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine

C10H15N — CID 155465991

IUPAC(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine
SMILESC=C/C=C\C=C(/C)CC(=C)N
InChIInChI=1S/C10H15N/c1-4-5-6-7-9(2)8-10(3)11/h4-7H,1,3,8,11H2,2H3/b6-5-,9-7+
InChIKeyVNGXNDQEXFOFEQ-BZWSEGBZSA-N
MW149.24 g/mol
LogP2.54
Rot. Bonds4

About (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine

(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine (PubChem CID 155465991) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine.

Molecular Properties

Compound Name(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine
PubChem CID155465991
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine
SMILESC=C/C=C\C=C(/C)CC(=C)N
InChIInChI=1S/C10H15N/c1-4-5-6-7-9(2)8-10(3)11/h4-7H,1,3,8,11H2,2H3/b6-5-,9-7+
InChIKeyVNGXNDQEXFOFEQ-BZWSEGBZSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine?
The IUPAC name of (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine (CID 155465991) is (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine.
What is the SMILES notation for (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine?
The canonical SMILES for (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine is C=C/C=C\C=C(/C)CC(=C)N.
What is the InChIKey of (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine?
The InChIKey is VNGXNDQEXFOFEQ-BZWSEGBZSA-N. The full InChI is InChI=1S/C10H15N/c1-4-5-6-7-9(2)8-10(3)11/h4-7H,1,3,8,11H2,2H3/b6-5-,9-7+.
What are the key properties of (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine?
(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine has a molecular weight of 149.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine is sourced from PubChem (CID 155465991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).