(1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine

C7H12N2 — CID 88914392

IUPAC(1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine
SMILESC/C=C\C(N)=C/C=C/N
InChIInChI=1S/C7H12N2/c1-2-4-7(9)5-3-6-8/h2-6H,8-9H2,1H3/b4-2-,6-3+,7-5+
InChIKeyHSGASFSSXDEQTE-QFDREYBASA-N
MW124.19 g/mol
LogP0.88
Rot. Bonds2

About (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine

(1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine (PubChem CID 88914392) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine.

Molecular Properties

Compound Name(1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine
PubChem CID88914392
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine
SMILESC/C=C\C(N)=C/C=C/N
InChIInChI=1S/C7H12N2/c1-2-4-7(9)5-3-6-8/h2-6H,8-9H2,1H3/b4-2-,6-3+,7-5+
InChIKeyHSGASFSSXDEQTE-QFDREYBASA-N
XLogP0.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.88
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 (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine?
The IUPAC name of (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine (CID 88914392) is (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine.
What is the SMILES notation for (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine?
The canonical SMILES for (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine is C/C=C\C(N)=C/C=C/N.
What is the InChIKey of (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine?
The InChIKey is HSGASFSSXDEQTE-QFDREYBASA-N. The full InChI is InChI=1S/C7H12N2/c1-2-4-7(9)5-3-6-8/h2-6H,8-9H2,1H3/b4-2-,6-3+,7-5+.
What are the key properties of (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine?
(1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-hepta-1,3,5-triene-1,4-diamine is sourced from PubChem (CID 88914392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).