1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine

C7H13BrN2 — CID 129156946

IUPAC1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine
SMILESC=C/C(Br)=C\N(C)N(C)C
InChIInChI=1S/C7H13BrN2/c1-5-7(8)6-10(4)9(2)3/h5-6H,1H2,2-4H3/b7-6+
InChIKeyGAIZFYMIPKIITN-VOTSOKGWSA-N
MW205.10 g/mol
LogP1.82
Rot. Bonds3

About 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine

1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine (PubChem CID 129156946) has the molecular formula C7H13BrN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine.

Molecular Properties

Compound Name1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine
PubChem CID129156946
Molecular FormulaC7H13BrN2
Molecular Weight205.10 g/mol
Exact Mass204.03
IUPAC Name1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine
SMILESC=C/C(Br)=C\N(C)N(C)C
InChIInChI=1S/C7H13BrN2/c1-5-7(8)6-10(4)9(2)3/h5-6H,1H2,2-4H3/b7-6+
InChIKeyGAIZFYMIPKIITN-VOTSOKGWSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine?
The IUPAC name of 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine (CID 129156946) is 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine.
What is the SMILES notation for 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine?
The canonical SMILES for 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine is C=C/C(Br)=C\N(C)N(C)C.
What is the InChIKey of 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine?
The InChIKey is GAIZFYMIPKIITN-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13BrN2/c1-5-7(8)6-10(4)9(2)3/h5-6H,1H2,2-4H3/b7-6+.
What are the key properties of 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine?
1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine has a molecular weight of 205.10 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine is sourced from PubChem (CID 129156946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).