1-methyl-1-penta-1,3-dien-2-ylhydrazine

C6H12N2 — CID 123644418

IUPAC1-methyl-1-penta-1,3-dien-2-ylhydrazine
SMILESC=C(C=CC)N(C)N
InChIInChI=1S/C6H12N2/c1-4-5-6(2)8(3)7/h4-5H,2,7H2,1,3H3
InChIKeyXJKBQDBSOZJGJS-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.88
Rot. Bonds2

About 1-methyl-1-penta-1,3-dien-2-ylhydrazine

1-methyl-1-penta-1,3-dien-2-ylhydrazine (PubChem CID 123644418) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-methyl-1-penta-1,3-dien-2-ylhydrazine.

Molecular Properties

Compound Name1-methyl-1-penta-1,3-dien-2-ylhydrazine
PubChem CID123644418
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-methyl-1-penta-1,3-dien-2-ylhydrazine
SMILESC=C(C=CC)N(C)N
InChIInChI=1S/C6H12N2/c1-4-5-6(2)8(3)7/h4-5H,2,7H2,1,3H3
InChIKeyXJKBQDBSOZJGJS-UHFFFAOYSA-N
XLogP0.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

p-Diaminopyridine
CID 22259988
1-methyl-1-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]hydrazine
CID 138546888
6-methyl-2H-pyridin-1-amine
CID 54093097
2,5-dimethyl-3-methylidene-1H-pyrazole
CID 59872898
2H-pyridine-1,5-diamine
CID 67060953
2-Ethylidenepyridin-1-amine
CID 73829568
1-[(Z)-but-2-en-2-yl]-1-methylhydrazine
CID 89134478
(6Z)-2-methyl-6-prop-2-enylidenepyridin-1-amine
CID 89301658
1-methyl-1-[(2Z)-penta-2,4-dien-2-yl]hydrazine
CID 89411288
2-Methylidenepyridin-1-amine
CID 117681910
(2Z)-2-(aminomethylidene)pyridin-1-amine
CID 117742805
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylhydrazine
CID 118642058

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-penta-1,3-dien-2-ylhydrazine?
The IUPAC name of 1-methyl-1-penta-1,3-dien-2-ylhydrazine (CID 123644418) is 1-methyl-1-penta-1,3-dien-2-ylhydrazine.
What is the SMILES notation for 1-methyl-1-penta-1,3-dien-2-ylhydrazine?
The canonical SMILES for 1-methyl-1-penta-1,3-dien-2-ylhydrazine is C=C(C=CC)N(C)N.
What is the InChIKey of 1-methyl-1-penta-1,3-dien-2-ylhydrazine?
The InChIKey is XJKBQDBSOZJGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5-6(2)8(3)7/h4-5H,2,7H2,1,3H3.
What are the key properties of 1-methyl-1-penta-1,3-dien-2-ylhydrazine?
1-methyl-1-penta-1,3-dien-2-ylhydrazine has a molecular weight of 112.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-penta-1,3-dien-2-ylhydrazine is sourced from PubChem (CID 123644418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).