1-(4-bromophenyl)hept-5-yn-2-ylhydrazine

C13H17BrN2 — CID 105195601

IUPAC1-(4-bromophenyl)hept-5-yn-2-ylhydrazine
SMILESCC#CCCC(Cc1ccc(Br)cc1)NN
InChIInChI=1S/C13H17BrN2/c1-2-3-4-5-13(16-15)10-11-6-8-12(14)9-7-11/h6-9,13,16H,4-5,10,15H2,1H3
InChIKeyFEFJXVQQSICXGQ-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine

1-(4-bromophenyl)hept-5-yn-2-ylhydrazine (PubChem CID 105195601) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-bromophenyl)hept-5-yn-2-ylhydrazine
PubChem CID105195601
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(4-bromophenyl)hept-5-yn-2-ylhydrazine
SMILESCC#CCCC(Cc1ccc(Br)cc1)NN
InChIInChI=1S/C13H17BrN2/c1-2-3-4-5-13(16-15)10-11-6-8-12(14)9-7-11/h6-9,13,16H,4-5,10,15H2,1H3
InChIKeyFEFJXVQQSICXGQ-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.63
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-chlorophenyl)hept-5-yn-2-ylhydrazine
CID 105197717
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
[1-(4-bromophenyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105195629
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226918
1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
CID 104805231
1-(4-bromophenyl)-N-ethylhex-5-yn-2-amine
CID 63656102
1-phenyl-N-propylhept-5-yn-2-amine
CID 104804600
1-(3-bromophenyl)hex-4-ynylhydrazine
CID 105198062
1-(4-bromophenyl)pent-3-ynylhydrazine
CID 105192351
1-(4-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234248
[1-(4-bromophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105195480

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine?
The IUPAC name of 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine (CID 105195601) is 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine.
What is the SMILES notation for 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine?
The canonical SMILES for 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine is CC#CCCC(Cc1ccc(Br)cc1)NN.
What is the InChIKey of 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine?
The InChIKey is FEFJXVQQSICXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-2-3-4-5-13(16-15)10-11-6-8-12(14)9-7-11/h6-9,13,16H,4-5,10,15H2,1H3.
What are the key properties of 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine?
1-(4-bromophenyl)hept-5-yn-2-ylhydrazine has a molecular weight of 281.20 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)hept-5-yn-2-ylhydrazine is sourced from PubChem (CID 105195601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).