[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine

C12H20BrN3 — CID 105334788

IUPAC[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine
SMILESCCC(C)CC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C12H20BrN3/c1-3-9(2)4-12(16-14)6-10-5-11(13)8-15-7-10/h5,7-9,12,16H,3-4,6,14H2,1-2H3
InChIKeyDUAZVUUATVRSNO-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.65
Rot. Bonds6

About [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine

[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine (PubChem CID 105334788) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine
PubChem CID105334788
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine
SMILESCCC(C)CC(Cc1cncc(Br)c1)NN
InChIInChI=1S/C12H20BrN3/c1-3-9(2)4-12(16-14)6-10-5-11(13)8-15-7-10/h5,7-9,12,16H,3-4,6,14H2,1-2H3
InChIKeyDUAZVUUATVRSNO-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
3-(5-bromo-3-pyridinyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244614
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105243945
[1-(5-bromo-3-pyridinyl)-4-propoxybutan-2-yl]hydrazine
CID 105334758
(4-methyl-1-phenylhexan-2-yl)hydrazine
CID 105195322
[1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105204924
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
[1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-yl]hydrazine
CID 105291388
[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine
CID 105212897

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine (CID 105334788) is [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine is CCC(C)CC(Cc1cncc(Br)c1)NN.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine?
The InChIKey is DUAZVUUATVRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-3-9(2)4-12(16-14)6-10-5-11(13)8-15-7-10/h5,7-9,12,16H,3-4,6,14H2,1-2H3.
What are the key properties of [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine?
[1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine has a molecular weight of 286.22 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-pyridinyl)-4-methylhexan-2-yl]hydrazine is sourced from PubChem (CID 105334788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).