1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one

C12H24N2O — CID 54140875

IUPAC1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one
SMILESCC(CCCNN)C(=O)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-10(6-5-9-14-13)12(15)11-7-3-2-4-8-11/h10-11,14H,2-9,13H2,1H3
InChIKeyOAZPWSITZPFCQA-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.02
Rot. Bonds6

About 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one

1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one (PubChem CID 54140875) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one
PubChem CID54140875
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one
SMILESCC(CCCNN)C(=O)C1CCCCC1
InChIInChI=1S/C12H24N2O/c1-10(6-5-9-14-13)12(15)11-7-3-2-4-8-11/h10-11,14H,2-9,13H2,1H3
InChIKeyOAZPWSITZPFCQA-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one?
The IUPAC name of 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one (CID 54140875) is 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one.
What is the SMILES notation for 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one?
The canonical SMILES for 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one is CC(CCCNN)C(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one?
The InChIKey is OAZPWSITZPFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(6-5-9-14-13)12(15)11-7-3-2-4-8-11/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one?
1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-hydrazinyl-2-methylpentan-1-one is sourced from PubChem (CID 54140875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).