1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine

C13H22N2 — CID 139479192

IUPAC1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
SMILESC=C(/C=C\C=C/C)/C(=C/C)NN(C)CC
InChIInChI=1S/C13H22N2/c1-6-9-10-11-12(4)13(7-2)14-15(5)8-3/h6-7,9-11,14H,4,8H2,1-3,5H3/b9-6-,11-10-,13-7-
InChIKeyGQLSOJSVASWYOG-RXVHCXNISA-N
MW206.33 g/mol
LogP3.04
Rot. Bonds6

About 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine

1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine (PubChem CID 139479192) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine.

Molecular Properties

Compound Name1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
PubChem CID139479192
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
SMILESC=C(/C=C\C=C/C)/C(=C/C)NN(C)CC
InChIInChI=1S/C13H22N2/c1-6-9-10-11-12(4)13(7-2)14-15(5)8-3/h6-7,9-11,14H,4,8H2,1-3,5H3/b9-6-,11-10-,13-7-
InChIKeyGQLSOJSVASWYOG-RXVHCXNISA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine?
The IUPAC name of 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine (CID 139479192) is 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine.
What is the SMILES notation for 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine?
The canonical SMILES for 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine is C=C(/C=C\C=C/C)/C(=C/C)NN(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine?
The InChIKey is GQLSOJSVASWYOG-RXVHCXNISA-N. The full InChI is InChI=1S/C13H22N2/c1-6-9-10-11-12(4)13(7-2)14-15(5)8-3/h6-7,9-11,14H,4,8H2,1-3,5H3/b9-6-,11-10-,13-7-.
What are the key properties of 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine?
1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine has a molecular weight of 206.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine is sourced from PubChem (CID 139479192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).