1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine

C9H18N2O — CID 134257845

IUPAC1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine
SMILESC=C/C=C(\CC)N(C)N(C)OC
InChIInChI=1S/C9H18N2O/c1-6-8-9(7-2)10(3)11(4)12-5/h6,8H,1,7H2,2-5H3/b9-8+
InChIKeyKGZNTPGUNPQQRK-CMDGGOBGSA-N
MW170.26 g/mol
LogP1.81
Rot. Bonds5

About 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine

1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine (PubChem CID 134257845) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine.

Molecular Properties

Compound Name1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine
PubChem CID134257845
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine
SMILESC=C/C=C(\CC)N(C)N(C)OC
InChIInChI=1S/C9H18N2O/c1-6-8-9(7-2)10(3)11(4)12-5/h6,8H,1,7H2,2-5H3/b9-8+
InChIKeyKGZNTPGUNPQQRK-CMDGGOBGSA-N
XLogP1.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine?
The IUPAC name of 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine (CID 134257845) is 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine.
What is the SMILES notation for 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine?
The canonical SMILES for 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine is C=C/C=C(\CC)N(C)N(C)OC.
What is the InChIKey of 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine?
The InChIKey is KGZNTPGUNPQQRK-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6-8-9(7-2)10(3)11(4)12-5/h6,8H,1,7H2,2-5H3/b9-8+.
What are the key properties of 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine?
1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine has a molecular weight of 170.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine is sourced from PubChem (CID 134257845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).