3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide

C11H23N3O2 — CID 103229712

IUPAC3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
SMILESCOCC(C(=O)NN)N1CCCCCC1C
InChIInChI=1S/C11H23N3O2/c1-9-6-4-3-5-7-14(9)10(8-16-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyNFIPBANOXHXRAT-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.26
Rot. Bonds4

About 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide

3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide (PubChem CID 103229712) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
PubChem CID103229712
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
SMILESCOCC(C(=O)NN)N1CCCCCC1C
InChIInChI=1S/C11H23N3O2/c1-9-6-4-3-5-7-14(9)10(8-16-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyNFIPBANOXHXRAT-UHFFFAOYSA-N
XLogP0.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxypropanehydrazide
CID 103229530
3-amino-2-(2-methylazepan-1-yl)propanoic acid
CID 64693147
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
CID 103229435
methyl 3-(2-methylpiperidin-1-yl)butanoate
CID 43537243
3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
3-methoxy-N-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 103225220
2-[3-(2-hydroxyethyl)piperidin-1-yl]-3-methoxypropanehydrazide
CID 107229100
3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
CID 103229742
methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
CID 102329917

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide?
The IUPAC name of 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide (CID 103229712) is 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide.
What is the SMILES notation for 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide?
The canonical SMILES for 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide is COCC(C(=O)NN)N1CCCCCC1C.
What is the InChIKey of 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide?
The InChIKey is NFIPBANOXHXRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9-6-4-3-5-7-14(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 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide?
3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide has a molecular weight of 229.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide is sourced from PubChem (CID 103229712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).