2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide

C12H25N3O — CID 63584513

IUPAC2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(C)C1CCCC(C)C1
InChIInChI=1S/C12H25N3O/c1-4-11(12(16)14-13)15(3)10-7-5-6-9(2)8-10/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyAQAOOIBIHCUTPC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.27
Rot. Bonds4

About 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide

2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide (PubChem CID 63584513) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide
PubChem CID63584513
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(C)C1CCCC(C)C1
InChIInChI=1S/C12H25N3O/c1-4-11(12(16)14-13)15(3)10-7-5-6-9(2)8-10/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyAQAOOIBIHCUTPC-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide?
The IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide (CID 63584513) is 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide.
What is the SMILES notation for 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide?
The canonical SMILES for 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide is CCC(C(=O)NN)N(C)C1CCCC(C)C1.
What is the InChIKey of 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide?
The InChIKey is AQAOOIBIHCUTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-11(12(16)14-13)15(3)10-7-5-6-9(2)8-10/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide?
2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide has a molecular weight of 227.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide is sourced from PubChem (CID 63584513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).