1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine

C13H17BrN2 — CID 105334894

IUPAC1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccc(Br)c(C)c1
InChIInChI=1S/C13H17BrN2/c1-3-4-5-6-13(16-15)11-7-8-12(14)10(2)9-11/h7-9,13,16H,5-6,15H2,1-2H3
InChIKeyAJAPPOIJTHXEQU-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine

1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine (PubChem CID 105334894) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine
PubChem CID105334894
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccc(Br)c(C)c1
InChIInChI=1S/C13H17BrN2/c1-3-4-5-6-13(16-15)11-7-8-12(14)10(2)9-11/h7-9,13,16H,5-6,15H2,1-2H3
InChIKeyAJAPPOIJTHXEQU-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
CID 105335018
1-(3-bromophenyl)hex-4-ynylhydrazine
CID 105198062
1-(2-bromo-5-methylphenyl)hex-4-ynylhydrazine
CID 105335090
1-(4-bromo-3-methylphenyl)but-3-ynylhydrazine
CID 105281427
1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
CID 106756698
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896
1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
CID 105335067
[1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413062
1-(4-bromo-3-methylphenyl)ethylhydrazine
CID 53402303
1-(2,5-dibromophenyl)-N-ethylhex-4-yn-1-amine
CID 105037425
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-ethylhex-4-yn-1-amine
CID 105037417
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
CID 105334999

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine (CID 105334894) is 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine is CC#CCCC(NN)c1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine?
The InChIKey is AJAPPOIJTHXEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-3-4-5-6-13(16-15)11-7-8-12(14)10(2)9-11/h7-9,13,16H,5-6,15H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine?
1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine has a molecular weight of 281.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105334894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).