(1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine

C9H13N — CID 89470665

IUPAC(1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine
SMILESC=C(/C=C\C=C/N)/C=C/C
InChIInChI=1S/C9H13N/c1-3-6-9(2)7-4-5-8-10/h3-8H,2,10H2,1H3/b6-3+,7-4-,8-5-
InChIKeyGMJQYTHMZRSASR-YFKOXLSJSA-N
MW135.21 g/mol
LogP2.15
Rot. Bonds3

About (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine

(1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine (PubChem CID 89470665) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine
PubChem CID89470665
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine
SMILESC=C(/C=C\C=C/N)/C=C/C
InChIInChI=1S/C9H13N/c1-3-6-9(2)7-4-5-8-10/h3-8H,2,10H2,1H3/b6-3+,7-4-,8-5-
InChIKeyGMJQYTHMZRSASR-YFKOXLSJSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.15
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 (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine?
The IUPAC name of (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine (CID 89470665) is (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine.
What is the SMILES notation for (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine?
The canonical SMILES for (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine is C=C(/C=C\C=C/N)/C=C/C.
What is the InChIKey of (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine?
The InChIKey is GMJQYTHMZRSASR-YFKOXLSJSA-N. The full InChI is InChI=1S/C9H13N/c1-3-6-9(2)7-4-5-8-10/h3-8H,2,10H2,1H3/b6-3+,7-4-,8-5-.
What are the key properties of (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine?
(1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6E)-5-methylideneocta-1,3,6-trien-1-amine is sourced from PubChem (CID 89470665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).