(2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine

C7H15N3 — CID 89370528

IUPAC(2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine
SMILESC/C(N)=C(N)\C(C)=C(/C)N
InChIInChI=1S/C7H15N3/c1-4(5(2)8)7(10)6(3)9/h8-10H2,1-3H3/b5-4+,7-6-
InChIKeyBNYIVWCGFHKMJV-DEQVHDEQSA-N
MW141.22 g/mol
LogP0.39
Rot. Bonds1

About (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine

(2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine (PubChem CID 89370528) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine.

Molecular Properties

Compound Name(2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine
PubChem CID89370528
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine
SMILESC/C(N)=C(N)\C(C)=C(/C)N
InChIInChI=1S/C7H15N3/c1-4(5(2)8)7(10)6(3)9/h8-10H2,1-3H3/b5-4+,7-6-
InChIKeyBNYIVWCGFHKMJV-DEQVHDEQSA-N
XLogP0.39
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,4E)-4-methylhexa-2,4-diene-2,3,5-triamine?
The IUPAC name of (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine (CID 89370528) is (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine.
What is the SMILES notation for (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine?
The canonical SMILES for (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine is C/C(N)=C(N)\C(C)=C(/C)N.
What is the InChIKey of (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine?
The InChIKey is BNYIVWCGFHKMJV-DEQVHDEQSA-N. The full InChI is InChI=1S/C7H15N3/c1-4(5(2)8)7(10)6(3)9/h8-10H2,1-3H3/b5-4+,7-6-.
What are the key properties of (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine?
(2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine has a molecular weight of 141.22 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine is sourced from PubChem (CID 89370528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).