2-cyano-2-(3-methylcyclohexyl)acetohydrazide

C10H17N3O — CID 130714844

IUPAC2-cyano-2-(3-methylcyclohexyl)acetohydrazide
SMILESCC1CCCC(C(C#N)C(=O)NN)C1
InChIInChI=1S/C10H17N3O/c1-7-3-2-4-8(5-7)9(6-11)10(14)13-12/h7-9H,2-5,12H2,1H3,(H,13,14)
InChIKeyABKRJRCJIUOKIJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.94
Rot. Bonds2

About 2-cyano-2-(3-methylcyclohexyl)acetohydrazide

2-cyano-2-(3-methylcyclohexyl)acetohydrazide (PubChem CID 130714844) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-cyano-2-(3-methylcyclohexyl)acetohydrazide.

Molecular Properties

Compound Name2-cyano-2-(3-methylcyclohexyl)acetohydrazide
PubChem CID130714844
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-cyano-2-(3-methylcyclohexyl)acetohydrazide
SMILESCC1CCCC(C(C#N)C(=O)NN)C1
InChIInChI=1S/C10H17N3O/c1-7-3-2-4-8(5-7)9(6-11)10(14)13-12/h7-9H,2-5,12H2,1H3,(H,13,14)
InChIKeyABKRJRCJIUOKIJ-UHFFFAOYSA-N
XLogP0.94
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyano-2-(3-methylcyclohexyl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(3-methylcyclohexyl)acetamide
CID 64990710
2-methoxy-2-(3-methylcyclohexyl)acetonitrile
CID 66072356
2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 62877360
[cyclobutyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210413
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
methyl (3S)-3-amino-3-(3-methylcyclohexyl)propanoate
CID 104941132
(2S)-2-cyclobutyl-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-hydroxyacetamide
CID 134235288
2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide
CID 63584513
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 130747164

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-(3-methylcyclohexyl)acetohydrazide?
The IUPAC name of 2-cyano-2-(3-methylcyclohexyl)acetohydrazide (CID 130714844) is 2-cyano-2-(3-methylcyclohexyl)acetohydrazide.
What is the SMILES notation for 2-cyano-2-(3-methylcyclohexyl)acetohydrazide?
The canonical SMILES for 2-cyano-2-(3-methylcyclohexyl)acetohydrazide is CC1CCCC(C(C#N)C(=O)NN)C1.
What is the InChIKey of 2-cyano-2-(3-methylcyclohexyl)acetohydrazide?
The InChIKey is ABKRJRCJIUOKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-3-2-4-8(5-7)9(6-11)10(14)13-12/h7-9H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 2-cyano-2-(3-methylcyclohexyl)acetohydrazide?
2-cyano-2-(3-methylcyclohexyl)acetohydrazide has a molecular weight of 195.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-(3-methylcyclohexyl)acetohydrazide is sourced from PubChem (CID 130714844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).