ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine

C13H28N2 — CID 145001559

IUPACethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine
SMILESC=C/C(=C/CC)N(C=C)NC.CC.CC
InChIInChI=1S/C9H16N2.2C2H6/c1-5-8-9(6-2)11(7-3)10-4;2*1-2/h6-8,10H,2-3,5H2,1,4H3;2*1-2H3/b9-8-;;
InChIKeyTYIURPHMIGGFHY-ULDSSAIZSA-N
MW212.38 g/mol
LogP4.10
Rot. Bonds5

About ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine

ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine (PubChem CID 145001559) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine.

Molecular Properties

Compound Nameethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine
PubChem CID145001559
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine
SMILESC=C/C(=C/CC)N(C=C)NC.CC.CC
InChIInChI=1S/C9H16N2.2C2H6/c1-5-8-9(6-2)11(7-3)10-4;2*1-2/h6-8,10H,2-3,5H2,1,4H3;2*1-2H3/b9-8-;;
InChIKeyTYIURPHMIGGFHY-ULDSSAIZSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine
CID 135202533
(Z)-1-[amino-[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-3,3-difluoroprop-1-en-2-amine
CID 143410207
3-fluoro-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147857381
(5Z,7Z)-2,4,4-trimethyl-3-methylidene-1H-diazocine
CID 57786367
N,2-dimethyl-2H-pyridin-1-amine
CID 67204212
2-Cyclohexa-1,5-dien-1-yl-1,5-dihydropyrazole
CID 68070588
2,6-ditert-butyl-1H-pyridazine
CID 69060860
2,3-dihydro-1H-pyrido[1,2-b]pyridazine
CID 69916808
2-ethyl-1-methyl-1-[(2E,4E)-octa-2,4-dienyl]hydrazine
CID 87095749
(2E,6E,8Z)-2-methyl-4,5-dihydroazonin-1-amine
CID 89381391
3-[(1Z)-buta-1,3-dienyl]-2,4-dimethyl-5,6-dihydro-1H-pyridazine
CID 89518302
2-Cyclohexa-1,5-dien-1-yl-1,1-dimethylhydrazine
CID 91245505

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine?
The IUPAC name of ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine (CID 145001559) is ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine.
What is the SMILES notation for ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine?
The canonical SMILES for ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine is C=C/C(=C/CC)N(C=C)NC.CC.CC.
What is the InChIKey of ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine?
The InChIKey is TYIURPHMIGGFHY-ULDSSAIZSA-N. The full InChI is InChI=1S/C9H16N2.2C2H6/c1-5-8-9(6-2)11(7-3)10-4;2*1-2/h6-8,10H,2-3,5H2,1,4H3;2*1-2H3/b9-8-;;.
What are the key properties of ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine?
ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine has a molecular weight of 212.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-1-[(3Z)-hexa-1,3-dien-3-yl]-2-methylhydrazine is sourced from PubChem (CID 145001559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).