3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide

C12H25N3O2 — CID 63705691

IUPAC3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-9(2)11(12(16)14-13)15(3)8-10-4-6-17-7-5-10/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyTUDSCPWGECALRC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.36
Rot. Bonds5

About 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide

3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide (PubChem CID 63705691) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide
PubChem CID63705691
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-9(2)11(12(16)14-13)15(3)8-10-4-6-17-7-5-10/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyTUDSCPWGECALRC-UHFFFAOYSA-N
XLogP0.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.36
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 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide?
The IUPAC name of 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide (CID 63705691) is 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide.
What is the SMILES notation for 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide?
The canonical SMILES for 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide is CC(C)C(C(=O)NN)N(C)CC1CCOCC1.
What is the InChIKey of 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide?
The InChIKey is TUDSCPWGECALRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)11(12(16)14-13)15(3)8-10-4-6-17-7-5-10/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide?
3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide has a molecular weight of 243.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl(oxan-4-ylmethyl)amino]butanehydrazide is sourced from PubChem (CID 63705691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).