1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine

C13H17BrN2 — CID 105335067

IUPAC1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1cccc(Br)c1C
InChIInChI=1S/C13H17BrN2/c1-3-4-5-9-13(16-15)11-7-6-8-12(14)10(11)2/h6-8,13,16H,5,9,15H2,1-2H3
InChIKeyIEULJRAPJHOKSW-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.07
Rot. Bonds4

About 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine

1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine (PubChem CID 105335067) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
PubChem CID105335067
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1cccc(Br)c1C
InChIInChI=1S/C13H17BrN2/c1-3-4-5-9-13(16-15)11-7-6-8-12(14)10(11)2/h6-8,13,16H,5,9,15H2,1-2H3
InChIKeyIEULJRAPJHOKSW-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-(2-bromo-5-methylphenyl)hex-4-ynylhydrazine
CID 105335090
1-(2-methyl-3-pyridinyl)hex-4-ynylhydrazine
CID 105334994
1-(3-bromo-2-methylphenyl)-N-ethylpent-3-yn-1-amine
CID 115819466
[1-(3-bromo-2-methylphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283961
1-(2-methoxyphenyl)hex-4-ynylhydrazine
CID 105191206
[1-(3-bromo-2-methylphenyl)-3-methylbut-3-enyl]hydrazine
CID 105319639
1-(3-bromophenyl)hex-4-ynylhydrazine
CID 105198062
1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine
CID 105334894
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
1-quinolin-8-ylhex-4-ynylhydrazine
CID 105334997
1-(3-bromo-2-chlorophenyl)-N-ethylhex-4-yn-1-amine
CID 105037408
[1-(3-bromo-2-methylphenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105289476

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine (CID 105335067) is 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine is CC#CCCC(NN)c1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine?
The InChIKey is IEULJRAPJHOKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-3-4-5-9-13(16-15)11-7-6-8-12(14)10(11)2/h6-8,13,16H,5,9,15H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine?
1-(3-bromo-2-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-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105335067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).