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

C6H12N2 — CID 167286267

IUPAC(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
SMILESCC(=C/N)/C(C)=C/N
InChIInChI=1S/C6H12N2/c1-5(3-7)6(2)4-8/h3-4H,7-8H2,1-2H3/b5-3-,6-4+
InChIKeyNTESEVOUMZNEDR-CIIODKQPSA-N
MW112.18 g/mol
LogP0.71
Rot. Bonds1

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

(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine (PubChem CID 167286267) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
PubChem CID167286267
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine
SMILESCC(=C/N)/C(C)=C/N
InChIInChI=1S/C6H12N2/c1-5(3-7)6(2)4-8/h3-4H,7-8H2,1-2H3/b5-3-,6-4+
InChIKeyNTESEVOUMZNEDR-CIIODKQPSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.71
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 (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine (CID 167286267) is (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine is CC(=C/N)/C(C)=C/N.
What is the InChIKey of (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine?
The InChIKey is NTESEVOUMZNEDR-CIIODKQPSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(3-7)6(2)4-8/h3-4H,7-8H2,1-2H3/b5-3-,6-4+.
What are the key properties of (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine?
(1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2,3-dimethylbuta-1,3-diene-1,4-diamine is sourced from PubChem (CID 167286267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).