(1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine

C6H12N2 — CID 90270418

IUPAC(1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine
SMILESC=C/C(=C/NC)NC
InChIInChI=1S/C6H12N2/c1-4-6(8-3)5-7-2/h4-5,7-8H,1H2,2-3H3/b6-5-
InChIKeyPXELBRFFBKNRQP-WAYWQWQTSA-N
MW112.18 g/mol
LogP0.45
Rot. Bonds3

About (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine

(1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine (PubChem CID 90270418) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine
PubChem CID90270418
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine
SMILESC=C/C(=C/NC)NC
InChIInChI=1S/C6H12N2/c1-4-6(8-3)5-7-2/h4-5,7-8H,1H2,2-3H3/b6-5-
InChIKeyPXELBRFFBKNRQP-WAYWQWQTSA-N
XLogP0.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine 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 (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine?
The IUPAC name of (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine (CID 90270418) is (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine?
The canonical SMILES for (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine is C=C/C(=C/NC)NC.
What is the InChIKey of (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine?
The InChIKey is PXELBRFFBKNRQP-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(8-3)5-7-2/h4-5,7-8H,1H2,2-3H3/b6-5-.
What are the key properties of (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine?
(1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-N,2-N-dimethylbuta-1,3-diene-1,2-diamine is sourced from PubChem (CID 90270418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).