(2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine

C9H13N — CID 163623672

IUPAC(2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine
SMILESC=CC(=C)/C=C\C=C/CN
InChIInChI=1S/C9H13N/c1-3-9(2)7-5-4-6-8-10/h3-7H,1-2,8,10H2/b6-4-,7-5-
InChIKeyHQGXTYLFZVOMSS-PEPZGXQESA-N
MW135.21 g/mol
LogP1.80
Rot. Bonds4

About (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine

(2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine (PubChem CID 163623672) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine
PubChem CID163623672
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine
SMILESC=CC(=C)/C=C\C=C/CN
InChIInChI=1S/C9H13N/c1-3-9(2)7-5-4-6-8-10/h3-7H,1-2,8,10H2/b6-4-,7-5-
InChIKeyHQGXTYLFZVOMSS-PEPZGXQESA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.80
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 (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine?
The IUPAC name of (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine (CID 163623672) is (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine.
What is the SMILES notation for (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine?
The canonical SMILES for (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine is C=CC(=C)/C=C\C=C/CN.
What is the InChIKey of (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine?
The InChIKey is HQGXTYLFZVOMSS-PEPZGXQESA-N. The full InChI is InChI=1S/C9H13N/c1-3-9(2)7-5-4-6-8-10/h3-7H,1-2,8,10H2/b6-4-,7-5-.
What are the key properties of (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine?
(2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methylideneocta-2,4,7-trien-1-amine is sourced from PubChem (CID 163623672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).