(1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine

C5H11N3 — CID 139401600

IUPAC(1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
SMILESCN/C(N)=C/C=C\N
InChIInChI=1S/C5H11N3/c1-8-5(7)3-2-4-6/h2-4,8H,6-7H2,1H3/b4-2-,5-3+
InChIKeyGVVRILZBBNKMQT-VOERYJCWSA-N
MW113.16 g/mol
LogP-0.52
Rot. Bonds2

About (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine (PubChem CID 139401600) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
PubChem CID139401600
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name(1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine
SMILESCN/C(N)=C/C=C\N
InChIInChI=1S/C5H11N3/c1-8-5(7)3-2-4-6/h2-4,8H,6-7H2,1H3/b4-2-,5-3+
InChIKeyGVVRILZBBNKMQT-VOERYJCWSA-N
XLogP-0.52
TPSA64.07 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 ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine (CID 139401600) is (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine is CN/C(N)=C/C=C\N.
What is the InChIKey of (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine?
The InChIKey is GVVRILZBBNKMQT-VOERYJCWSA-N. The full InChI is InChI=1S/C5H11N3/c1-8-5(7)3-2-4-6/h2-4,8H,6-7H2,1H3/b4-2-,5-3+.
What are the key properties of (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine has a molecular weight of 113.16 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N'-methylbuta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 139401600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).