(1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine

C5H11N3 — CID 126731686

IUPAC(1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine
SMILESN/C=C\C(=C/N)CN
InChIInChI=1S/C5H11N3/c6-2-1-5(3-7)4-8/h1-3H,4,6-8H2/b2-1-,5-3+
InChIKeyXEXUOHNSVBZCEL-REDYYMJGSA-N
MW113.16 g/mol
LogP-0.74
Rot. Bonds2

About (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine

(1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine (PubChem CID 126731686) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine
PubChem CID126731686
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine
SMILESN/C=C\C(=C/N)CN
InChIInChI=1S/C5H11N3/c6-2-1-5(3-7)4-8/h1-3H,4,6-8H2/b2-1-,5-3+
InChIKeyXEXUOHNSVBZCEL-REDYYMJGSA-N
XLogP-0.74
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.74
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 (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine (CID 126731686) is (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine is N/C=C\C(=C/N)CN.
What is the InChIKey of (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine?
The InChIKey is XEXUOHNSVBZCEL-REDYYMJGSA-N. The full InChI is InChI=1S/C5H11N3/c6-2-1-5(3-7)4-8/h1-3H,4,6-8H2/b2-1-,5-3+.
What are the key properties of (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine?
(1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine has a molecular weight of 113.16 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-(aminomethyl)buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 126731686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).