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

C6H12N2 — CID 143280544

IUPAC(1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine
SMILESC=C(N)/C(C)=C/NC
InChIInChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h4,8H,2,7H2,1,3H3/b5-4+
InChIKeyVCZIQHPXBAHGSW-SNAWJCMRSA-N
MW112.18 g/mol
LogP0.58
Rot. Bonds2

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

(1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine (PubChem CID 143280544) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine
PubChem CID143280544
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine
SMILESC=C(N)/C(C)=C/NC
InChIInChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h4,8H,2,7H2,1,3H3/b5-4+
InChIKeyVCZIQHPXBAHGSW-SNAWJCMRSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2,4-dimethylidene-1H-pyrimidine
CID 20646588
(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine
CID 88898646
2-N-methyl-2-N-(3-methylbuta-1,3-dien-2-yl)ethene-1,1,2-triamine
CID 88905577
(E)-1-N-methylbut-1-ene-1,2-diamine
CID 88921590
(Z)-1-N-methylbut-1-ene-1,2-diamine
CID 88921591
N'-(3-methylbuta-1,3-dien-2-yl)ethane-1,2-diamine
CID 90261773
(E)-1-N,2-dimethylbut-1-ene-1,3-diamine
CID 90453241
(Z)-2-ethyl-N-methylprop-1-ene-1,3-diamine
CID 118478901
4-prop-1-en-2-yl-2,3-dihydro-1H-imidazole
CID 121420142
(1E,3E)-1-N,4-dimethylpenta-1,3-diene-1,2,5-triamine
CID 122468740
(1E,3Z)-1-N,3-dimethylhexa-1,3,5-triene-1,2-diamine
CID 126667514
(1E,3Z)-2-(methylaminomethyl)buta-1,3-diene-1,4-diamine
CID 129262344

Frequently Asked Questions

What is the IUPAC name of (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine?
The IUPAC name of (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine (CID 143280544) is (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine?
The canonical SMILES for (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine is C=C(N)/C(C)=C/NC.
What is the InChIKey of (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine?
The InChIKey is VCZIQHPXBAHGSW-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(4-8-3)6(2)7/h4,8H,2,7H2,1,3H3/b5-4+.
What are the key properties of (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine?
(1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-N,2-dimethylbuta-1,3-diene-1,3-diamine is sourced from PubChem (CID 143280544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).