2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide

C11H23N3O2 — CID 103229474

IUPAC2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)N(C)C1CCCCC1
InChIInChI=1S/C11H23N3O2/c1-14(9-6-4-3-5-7-9)10(8-16-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyGFLBRQLFCLUMLO-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.26
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide

2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide (PubChem CID 103229474) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide
PubChem CID103229474
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)N(C)C1CCCCC1
InChIInChI=1S/C11H23N3O2/c1-14(9-6-4-3-5-7-9)10(8-16-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyGFLBRQLFCLUMLO-UHFFFAOYSA-N
XLogP0.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide (CID 103229474) is 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide is COCC(C(=O)NN)N(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide?
The InChIKey is GFLBRQLFCLUMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-14(9-6-4-3-5-7-9)10(8-16-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide?
2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide has a molecular weight of 229.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-3-methoxypropanehydrazide is sourced from PubChem (CID 103229474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).