3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide

C11H23N3O3 — CID 103229596

IUPAC3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide
SMILESCOCC(C(=O)NN)N(C)CC1CCCCO1
InChIInChI=1S/C11H23N3O3/c1-14(7-9-5-3-4-6-17-9)10(8-16-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyKYCVWGAXZOVCFK-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.51
Rot. Bonds6

About 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide

3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide (PubChem CID 103229596) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide
PubChem CID103229596
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide
SMILESCOCC(C(=O)NN)N(C)CC1CCCCO1
InChIInChI=1S/C11H23N3O3/c1-14(7-9-5-3-4-6-17-9)10(8-16-2)11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyKYCVWGAXZOVCFK-UHFFFAOYSA-N
XLogP-0.51
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.51
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide?
The IUPAC name of 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide (CID 103229596) is 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide.
What is the SMILES notation for 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide?
The canonical SMILES for 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide is COCC(C(=O)NN)N(C)CC1CCCCO1.
What is the InChIKey of 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide?
The InChIKey is KYCVWGAXZOVCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-14(7-9-5-3-4-6-17-9)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-[methyl(oxan-2-ylmethyl)amino]propanehydrazide?
3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide has a molecular weight of 245.32 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[methyl(oxan-2-ylmethyl)amino]propanehydrazide is sourced from PubChem (CID 103229596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).