3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide

C12H24N4O2 — CID 103229742

IUPAC3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
SMILESCOCC(C(=O)NN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C12H24N4O2/c1-15-9-3-4-10(15)7-16(6-5-9)11(8-18-2)12(17)14-13/h9-11H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyCHXUEYCVGJAKBZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.84
Rot. Bonds4

About 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide

3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide (PubChem CID 103229742) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
PubChem CID103229742
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
SMILESCOCC(C(=O)NN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C12H24N4O2/c1-15-9-3-4-10(15)7-16(6-5-9)11(8-18-2)12(17)14-13/h9-11H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyCHXUEYCVGJAKBZ-UHFFFAOYSA-N
XLogP-0.84
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

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CID 103229530
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
2-[3-(2-hydroxyethyl)piperidin-1-yl]-3-methoxypropanehydrazide
CID 107229100
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
CID 103229435
3-methoxy-2-(2-methyl-1,4-oxazepan-4-yl)propanehydrazide
CID 103229582
3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
CID 103229712
2-amino-3-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 81101479
3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 103224568
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
CID 103229714
3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 103229575

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide?
The IUPAC name of 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide (CID 103229742) is 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide.
What is the SMILES notation for 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide?
The canonical SMILES for 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide is COCC(C(=O)NN)N1CCC2CCC(C1)N2C.
What is the InChIKey of 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide?
The InChIKey is CHXUEYCVGJAKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-15-9-3-4-10(15)7-16(6-5-9)11(8-18-2)12(17)14-13/h9-11H,3-8,13H2,1-2H3,(H,14,17).
What are the key properties of 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide?
3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide has a molecular weight of 256.35 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide is sourced from PubChem (CID 103229742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).