2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine

C8H14N2 — CID 138481376

IUPAC2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine
SMILESC=C/C=C\C(=C)NN(C)C
InChIInChI=1S/C8H14N2/c1-5-6-7-8(2)9-10(3)4/h5-7,9H,1-2H2,3-4H3/b7-6-
InChIKeyYPFWEDZPZSAPQP-SREVYHEPSA-N
MW138.21 g/mol
LogP1.31
Rot. Bonds4

About 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine

2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine (PubChem CID 138481376) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine
PubChem CID138481376
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine
SMILESC=C/C=C\C(=C)NN(C)C
InChIInChI=1S/C8H14N2/c1-5-6-7-8(2)9-10(3)4/h5-7,9H,1-2H2,3-4H3/b7-6-
InChIKeyYPFWEDZPZSAPQP-SREVYHEPSA-N
XLogP1.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.31
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 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine (CID 138481376) is 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine is C=C/C=C\C(=C)NN(C)C.
What is the InChIKey of 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine?
The InChIKey is YPFWEDZPZSAPQP-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-7-8(2)9-10(3)4/h5-7,9H,1-2H2,3-4H3/b7-6-.
What are the key properties of 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine?
2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine has a molecular weight of 138.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-hexa-1,3,5-trien-2-yl]-1,1-dimethylhydrazine is sourced from PubChem (CID 138481376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).