[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine

C12H17BrN2 — CID 105319639

IUPAC[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1cccc(Br)c1C
InChIInChI=1S/C12H17BrN2/c1-8(2)7-12(15-14)10-5-4-6-11(13)9(10)3/h4-6,12,15H,1,7,14H2,2-3H3
InChIKeyBICDHVSWHNNTPB-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.23
Rot. Bonds4

About [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine

[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine (PubChem CID 105319639) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine
PubChem CID105319639
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1cccc(Br)c1C
InChIInChI=1S/C12H17BrN2/c1-8(2)7-12(15-14)10-5-4-6-11(13)9(10)3/h4-6,12,15H,1,7,14H2,2-3H3
InChIKeyBICDHVSWHNNTPB-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromo-2-methylphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283961
1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
CID 105335067
[1-(2,3-dimethylphenyl)-3-methylidenepentyl]hydrazine
CID 105320228
(1S)-1-(2-bromophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171217579
1-(3-bromo-2-fluorophenyl)-3-methylbut-3-en-1-amine
CID 107953308
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
CID 105246729
1-(3-bromo-2-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005146
[3-methyl-1-(6-methyl-2-pyridinyl)but-3-enyl]hydrazine
CID 105219222
[1-(3-bromo-2-methylphenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105289476
1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine
CID 114979373
[2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105238066

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine (CID 105319639) is [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine is C=C(C)CC(NN)c1cccc(Br)c1C.
What is the InChIKey of [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine?
The InChIKey is BICDHVSWHNNTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8(2)7-12(15-14)10-5-4-6-11(13)9(10)3/h4-6,12,15H,1,7,14H2,2-3H3.
What are the key properties of [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine?
[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine has a molecular weight of 269.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine is sourced from PubChem (CID 105319639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).