1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine

C6H12N2 — CID 174111731

IUPAC1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine
SMILESC/C=C\C=C\N(C)N
InChIInChI=1S/C6H12N2/c1-3-4-5-6-8(2)7/h3-6H,7H2,1-2H3/b4-3-,6-5+
InChIKeySNTGQTKWLCDINQ-DNVGVPOPSA-N
MW112.18 g/mol
LogP0.88
Rot. Bonds2

About 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine

1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine (PubChem CID 174111731) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine
PubChem CID174111731
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine
SMILESC/C=C\C=C\N(C)N
InChIInChI=1S/C6H12N2/c1-3-4-5-6-8(2)7/h3-6H,7H2,1-2H3/b4-3-,6-5+
InChIKeySNTGQTKWLCDINQ-DNVGVPOPSA-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

(1E,3E)-N,N-dimethylpenta-1,3-dien-1-amine
CID 15260182
1-buta-1,3-dienyl-1-methylhydrazine
CID 91065871
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
(4E)-hexa-2,4-diene
CID 22435466
N-methyl-N-penta-1,3-dienylformamide
CID 123920122
(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 89016465
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine
CID 130320508
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
potassium;hexa-2,4-diene;hydride
CID 174550949
hexa-2,4-dienylidene(methyl)azanium
CID 58700798
1,1-dimethylhydrazine;prop-1-en-1-amine
CID 173114138

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine?
The IUPAC name of 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine (CID 174111731) is 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine?
The canonical SMILES for 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine is C/C=C\C=C\N(C)N.
What is the InChIKey of 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine?
The InChIKey is SNTGQTKWLCDINQ-DNVGVPOPSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-5-6-8(2)7/h3-6H,7H2,1-2H3/b4-3-,6-5+.
What are the key properties of 1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine?
1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine 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-[(1E,3Z)-penta-1,3-dienyl]hydrazine is sourced from PubChem (CID 174111731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).