(1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine

C11H16N2 — CID 89057317

IUPAC(1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine
SMILESC=C/C(C=CC(=C)NC)=C\C=C/N
InChIInChI=1S/C11H16N2/c1-4-11(6-5-9-12)8-7-10(2)13-3/h4-9,13H,1-2,12H2,3H3/b8-7?,9-5-,11-6+
InChIKeyZLARJKHYCCLIAU-XVQUYWHISA-N
MW176.26 g/mol
LogP1.86
Rot. Bonds5

About (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine

(1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine (PubChem CID 89057317) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine.

Molecular Properties

Compound Name(1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine
PubChem CID89057317
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine
SMILESC=C/C(C=CC(=C)NC)=C\C=C/N
InChIInChI=1S/C11H16N2/c1-4-11(6-5-9-12)8-7-10(2)13-3/h4-9,13H,1-2,12H2,3H3/b8-7?,9-5-,11-6+
InChIKeyZLARJKHYCCLIAU-XVQUYWHISA-N
XLogP1.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine?
The IUPAC name of (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine (CID 89057317) is (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine.
What is the SMILES notation for (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine?
The canonical SMILES for (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine is C=C/C(C=CC(=C)NC)=C\C=C/N.
What is the InChIKey of (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine?
The InChIKey is ZLARJKHYCCLIAU-XVQUYWHISA-N. The full InChI is InChI=1S/C11H16N2/c1-4-11(6-5-9-12)8-7-10(2)13-3/h4-9,13H,1-2,12H2,3H3/b8-7?,9-5-,11-6+.
What are the key properties of (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine?
(1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine has a molecular weight of 176.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-ethenyl-7-N-methylocta-1,3,5,7-tetraene-1,7-diamine is sourced from PubChem (CID 89057317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).