(1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine

C7H12N2 — CID 89001508

IUPAC(1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C(C)\C=C/N
InChIInChI=1S/C7H12N2/c1-6(3-4-8)5-7(2)9/h3-5H,2,8-9H2,1H3/b4-3-,6-5-
InChIKeyADOBNDIOAFEYQD-OUPQRBNQSA-N
MW124.19 g/mol
LogP0.88
Rot. Bonds2

About (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine

(1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine (PubChem CID 89001508) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine
PubChem CID89001508
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C=C(C)\C=C/N
InChIInChI=1S/C7H12N2/c1-6(3-4-8)5-7(2)9/h3-5H,2,8-9H2,1H3/b4-3-,6-5-
InChIKeyADOBNDIOAFEYQD-OUPQRBNQSA-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 (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine (CID 89001508) is (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine is C=C(N)/C=C(C)\C=C/N.
What is the InChIKey of (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine?
The InChIKey is ADOBNDIOAFEYQD-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(3-4-8)5-7(2)9/h3-5H,2,8-9H2,1H3/b4-3-,6-5-.
What are the key properties of (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine?
(1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-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 (1Z,3Z)-3-methylhexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89001508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).