[(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine

C13H20BrN3 — CID 105251071

IUPAC[(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine
SMILESCC1CCCC(C(NN)c2cncc(Br)c2)C1
InChIInChI=1S/C13H20BrN3/c1-9-3-2-4-10(5-9)13(17-15)11-6-12(14)8-16-7-11/h6-10,13,17H,2-5,15H2,1H3
InChIKeyXVKQSVUWOVQHEU-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.17
Rot. Bonds3

About [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine

[(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine (PubChem CID 105251071) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine
PubChem CID105251071
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name[(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine
SMILESCC1CCCC(C(NN)c2cncc(Br)c2)C1
InChIInChI=1S/C13H20BrN3/c1-9-3-2-4-10(5-9)13(17-15)11-6-12(14)8-16-7-11/h6-10,13,17H,2-5,15H2,1H3
InChIKeyXVKQSVUWOVQHEU-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.17
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

[(3-bromo-5-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313494
[(3-bromophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105197926
[(3-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105194279
[(3-methylcyclohexyl)-(5-methylfuran-3-yl)methyl]hydrazine
CID 105313572
[cyclopentyl-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105204323
3-[hydrazinyl-(3-methylcyclohexyl)methyl]pyridin-4-amine
CID 105210283
[cyclooctyl-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105255257
4-[hydrazinyl-(3-methylcyclohexyl)methyl]-1H-pyrazol-5-amine
CID 105231091
[(5-methyl-3-pyridinyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324276
[(2-bromo-5-fluorophenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313608
[(3-methylcyclohexyl)-(4-propylphenyl)methyl]hydrazine
CID 105210218
[cyclopropyl-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105202421

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine (CID 105251071) is [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine is CC1CCCC(C(NN)c2cncc(Br)c2)C1.
What is the InChIKey of [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine?
The InChIKey is XVKQSVUWOVQHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-9-3-2-4-10(5-9)13(17-15)11-6-12(14)8-16-7-11/h6-10,13,17H,2-5,15H2,1H3.
What are the key properties of [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine?
[(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine has a molecular weight of 298.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-pyridinyl)-(3-methylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 105251071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).