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

C9H18N2 — CID 134257846

IUPAC1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine
SMILESC=C/C=C(\CC)N(C)N(C)C
InChIInChI=1S/C9H18N2/c1-6-8-9(7-2)11(5)10(3)4/h6,8H,1,7H2,2-5H3/b9-8+
InChIKeyJLIOETPXJHBTMD-CMDGGOBGSA-N
MW154.26 g/mol
LogP1.87
Rot. Bonds4

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

1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine (PubChem CID 134257846) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine.

Molecular Properties

Compound Name1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine
PubChem CID134257846
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine
SMILESC=C/C=C(\CC)N(C)N(C)C
InChIInChI=1S/C9H18N2/c1-6-8-9(7-2)11(5)10(3)4/h6,8H,1,7H2,2-5H3/b9-8+
InChIKeyJLIOETPXJHBTMD-CMDGGOBGSA-N
XLogP1.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
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

N-(7-fluorodeca-1,4,6,8-tetraen-2-yldiazenyl)-N-methylmethanamine
CID 123513103
1-[(6Z)-8-fluoronona-1,4,6-trien-5-yl]-1,2-dimethyl-2-propylhydrazine
CID 156315006
1-[(3Z)-4-fluorohexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine
CID 170144467
Lithium cyclohexa-1,5-dien-1-yl(dimethylamino)azanide
CID 134905420
(3E)-N,N-dimethylhexa-3,5-dien-3-amine
CID 13112058
1,3,5-Cycloheptatrien-1-amine,N,N-dimethyl-,(1Z,3Z,5Z)-(9CI)
CID 13380462
1-N,1-N,3-N,3-N-tetramethylcyclopenta-1,3-diene-1,3-diamine
CID 22996630
3-Tert-butyl-1,2-dimethyl-5-methylidenepyrazole
CID 58268878
N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
CID 88991335
(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
CID 89320182
N,N-dimethylnona-2,4,6-trien-4-amine
CID 90801555
N,N-dimethylhepta-2,4-dien-3-amine
CID 90860065

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine?
The IUPAC name of 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine (CID 134257846) is 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine.
What is the SMILES notation for 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine?
The canonical SMILES for 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine is C=C/C=C(\CC)N(C)N(C)C.
What is the InChIKey of 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine?
The InChIKey is JLIOETPXJHBTMD-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-8-9(7-2)11(5)10(3)4/h6,8H,1,7H2,2-5H3/b9-8+.
What are the key properties of 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine?
1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine has a molecular weight of 154.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine is sourced from PubChem (CID 134257846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).