ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine

C16H31N3 — CID 144512418

IUPACethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine
SMILESC=CC1=C(C)C=CCC(=C)N1N(C)NC.CC.CC
InChIInChI=1S/C12H19N3.2C2H6/c1-6-12-10(2)8-7-9-11(3)15(12)14(5)13-4;2*1-2/h6-8,13H,1,3,9H2,2,4-5H3;2*1-2H3
InChIKeyDOMCYNPKIMHLOA-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.26
Rot. Bonds3

About ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine

ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine (PubChem CID 144512418) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine.

Molecular Properties

Compound Nameethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine
PubChem CID144512418
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Nameethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine
SMILESC=CC1=C(C)C=CCC(=C)N1N(C)NC.CC.CC
InChIInChI=1S/C12H19N3.2C2H6/c1-6-12-10(2)8-7-9-11(3)15(12)14(5)13-4;2*1-2/h6-8,13H,1,3,9H2,2,4-5H3;2*1-2H3
InChIKeyDOMCYNPKIMHLOA-UHFFFAOYSA-N
XLogP4.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine
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3-tert-butyl-5-methyl-2-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-1,5-dihydropyrazole
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1,2-dimethyl-1-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]hydrazine
CID 134533614
1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
CID 139479192
2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
CID 139542195
1-Cyclohepta-1,4,6-trien-1-yl-1,2-dimethylhydrazine
CID 142903313
ethane;2-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-1,5-dihydropyrazole
CID 143818348
1,2-dimethyl-1-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydrazine;ethane
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1-[(3Z,6Z)-2,5-dimethylocta-1,3,6-trien-3-yl]-2-methylhydrazine
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Frequently Asked Questions

What is the IUPAC name of ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine?
The IUPAC name of ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine (CID 144512418) is ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine.
What is the SMILES notation for ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine?
The canonical SMILES for ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine is C=CC1=C(C)C=CCC(=C)N1N(C)NC.CC.CC.
What is the InChIKey of ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine?
The InChIKey is DOMCYNPKIMHLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.2C2H6/c1-6-12-10(2)8-7-9-11(3)15(12)14(5)13-4;2*1-2/h6-8,13H,1,3,9H2,2,4-5H3;2*1-2H3.
What are the key properties of ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine?
ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine has a molecular weight of 265.44 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(7-ethenyl-6-methyl-2-methylidene-3H-azepin-1-yl)-1,2-dimethylhydrazine is sourced from PubChem (CID 144512418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).