2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide

C11H23N3O — CID 63579470

IUPAC2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
SMILESCC1CCC(N(C)C(C)C(=O)NN)CC1
InChIInChI=1S/C11H23N3O/c1-8-4-6-10(7-5-8)14(3)9(2)11(15)13-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyTWJCXSCIKCGAKV-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.88
Rot. Bonds3

About 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide

2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide (PubChem CID 63579470) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide.

Molecular Properties

Compound Name2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
PubChem CID63579470
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
SMILESCC1CCC(N(C)C(C)C(=O)NN)CC1
InChIInChI=1S/C11H23N3O/c1-8-4-6-10(7-5-8)14(3)9(2)11(15)13-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyTWJCXSCIKCGAKV-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.88
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-(4-methylcyclohexyl)amino]propanehydrazide?
The IUPAC name of 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide (CID 63579470) is 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide.
What is the SMILES notation for 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide?
The canonical SMILES for 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide is CC1CCC(N(C)C(C)C(=O)NN)CC1.
What is the InChIKey of 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide?
The InChIKey is TWJCXSCIKCGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8-4-6-10(7-5-8)14(3)9(2)11(15)13-12/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide?
2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide has a molecular weight of 213.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide is sourced from PubChem (CID 63579470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).