1-(3-bromophenyl)hex-4-ynylhydrazine

C12H15BrN2 — CID 105198062

IUPAC1-(3-bromophenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2/c1-2-3-4-8-12(15-14)10-6-5-7-11(13)9-10/h5-7,9,12,15H,4,8,14H2,1H3
InChIKeyGYWXNIVRFPMRKY-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.76
Rot. Bonds4

About 1-(3-bromophenyl)hex-4-ynylhydrazine

1-(3-bromophenyl)hex-4-ynylhydrazine (PubChem CID 105198062) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(3-bromophenyl)hex-4-ynylhydrazine
PubChem CID105198062
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(3-bromophenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2/c1-2-3-4-8-12(15-14)10-6-5-7-11(13)9-10/h5-7,9,12,15H,4,8,14H2,1H3
InChIKeyGYWXNIVRFPMRKY-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.76
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-(3-bromophenyl)-N-propylhex-4-yn-1-amine
CID 113455212
1-(4-bromo-3-methylphenyl)hex-4-ynylhydrazine
CID 105334894
1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
CID 105335018
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
CID 106756698
1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
CID 105335067
[1-(3-bromophenyl)-4-phenylbutyl]hydrazine
CID 105197868
1-(2,3-dihydro-1-benzofuran-5-yl)hex-4-ynylhydrazine
CID 105334999
1-thiophen-3-ylhex-4-ynylhydrazine
CID 105196857
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
CID 104804760
1-(2-bromo-5-methylphenyl)hex-4-ynylhydrazine
CID 105335090

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(3-bromophenyl)hex-4-ynylhydrazine (CID 105198062) is 1-(3-bromophenyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(3-bromophenyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(3-bromophenyl)hex-4-ynylhydrazine is CC#CCCC(NN)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)hex-4-ynylhydrazine?
The InChIKey is GYWXNIVRFPMRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-2-3-4-8-12(15-14)10-6-5-7-11(13)9-10/h5-7,9,12,15H,4,8,14H2,1H3.
What are the key properties of 1-(3-bromophenyl)hex-4-ynylhydrazine?
1-(3-bromophenyl)hex-4-ynylhydrazine has a molecular weight of 267.17 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105198062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).