1-(3-bromophenyl)heptan-2-ylhydrazine

C13H21BrN2 — CID 105202849

IUPAC1-(3-bromophenyl)heptan-2-ylhydrazine
SMILESCCCCCC(Cc1cccc(Br)c1)NN
InChIInChI=1S/C13H21BrN2/c1-2-3-4-8-13(16-15)10-11-6-5-7-12(14)9-11/h5-7,9,13,16H,2-4,8,10,15H2,1H3
InChIKeyQWNMGEOXXNZZBK-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.40
Rot. Bonds7

About 1-(3-bromophenyl)heptan-2-ylhydrazine

1-(3-bromophenyl)heptan-2-ylhydrazine (PubChem CID 105202849) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)heptan-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-bromophenyl)heptan-2-ylhydrazine
PubChem CID105202849
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(3-bromophenyl)heptan-2-ylhydrazine
SMILESCCCCCC(Cc1cccc(Br)c1)NN
InChIInChI=1S/C13H21BrN2/c1-2-3-4-8-13(16-15)10-11-6-5-7-12(14)9-11/h5-7,9,13,16H,2-4,8,10,15H2,1H3
InChIKeyQWNMGEOXXNZZBK-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
1-(3-methylphenyl)undecan-2-ylhydrazine
CID 105208921
1-(3-fluorophenyl)nonan-2-ylhydrazine
CID 105204716
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225748
[1-(3-bromophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105284555
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767
[1-(3-bromophenyl)-3-methylhexan-2-yl]hydrazine
CID 105284586
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910
2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
CID 63522281

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)heptan-2-ylhydrazine?
The IUPAC name of 1-(3-bromophenyl)heptan-2-ylhydrazine (CID 105202849) is 1-(3-bromophenyl)heptan-2-ylhydrazine.
What is the SMILES notation for 1-(3-bromophenyl)heptan-2-ylhydrazine?
The canonical SMILES for 1-(3-bromophenyl)heptan-2-ylhydrazine is CCCCCC(Cc1cccc(Br)c1)NN.
What is the InChIKey of 1-(3-bromophenyl)heptan-2-ylhydrazine?
The InChIKey is QWNMGEOXXNZZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-2-3-4-8-13(16-15)10-11-6-5-7-12(14)9-11/h5-7,9,13,16H,2-4,8,10,15H2,1H3.
What are the key properties of 1-(3-bromophenyl)heptan-2-ylhydrazine?
1-(3-bromophenyl)heptan-2-ylhydrazine has a molecular weight of 285.23 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)heptan-2-ylhydrazine is sourced from PubChem (CID 105202849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).