1-(2-bromophenyl)hex-5-yn-2-ylhydrazine

C12H15BrN2 — CID 105214924

IUPAC1-(2-bromophenyl)hex-5-yn-2-ylhydrazine
SMILESC#CCCC(Cc1ccccc1Br)NN
InChIInChI=1S/C12H15BrN2/c1-2-3-7-11(15-14)9-10-6-4-5-8-12(10)13/h1,4-6,8,11,15H,3,7,9,14H2
InChIKeyKDKASRDJAMDURZ-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.24
Rot. Bonds5

About 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine

1-(2-bromophenyl)hex-5-yn-2-ylhydrazine (PubChem CID 105214924) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(2-bromophenyl)hex-5-yn-2-ylhydrazine
PubChem CID105214924
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(2-bromophenyl)hex-5-yn-2-ylhydrazine
SMILESC#CCCC(Cc1ccccc1Br)NN
InChIInChI=1S/C12H15BrN2/c1-2-3-7-11(15-14)9-10-6-4-5-8-12(10)13/h1,4-6,8,11,15H,3,7,9,14H2
InChIKeyKDKASRDJAMDURZ-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.24
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-bromophenyl)-5-phenylpentan-2-yl]hydrazine
CID 105214828
[1-(2-bromophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105283966
[1-(2-bromophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195397
1-(2-bromophenyl)pent-4-en-2-ylhydrazine
CID 105214960
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
[1-(2-bromophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 105214950
1-(2-bromophenyl)pent-4-yn-2-amine
CID 62828473
1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333380
[1-(2-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225904
[1-(1-benzothiophen-3-yl)-3-(2-bromophenyl)propan-2-yl]hydrazine
CID 105214923
[1-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 105214935
1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
CID 63655696

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine?
The IUPAC name of 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine (CID 105214924) is 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine.
What is the SMILES notation for 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine?
The canonical SMILES for 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine is C#CCCC(Cc1ccccc1Br)NN.
What is the InChIKey of 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine?
The InChIKey is KDKASRDJAMDURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-2-3-7-11(15-14)9-10-6-4-5-8-12(10)13/h1,4-6,8,11,15H,3,7,9,14H2.
What are the key properties of 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine?
1-(2-bromophenyl)hex-5-yn-2-ylhydrazine has a molecular weight of 267.17 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)hex-5-yn-2-ylhydrazine is sourced from PubChem (CID 105214924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).