4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide

C12H25N3O2 — CID 55214041

IUPAC4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)CC1CCCCO1
InChIInChI=1S/C12H25N3O2/c1-10(6-7-12(16)14-13)15(2)9-11-5-3-4-8-17-11/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyUBCRXPQFOZUXND-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.65
Rot. Bonds6

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

4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide (PubChem CID 55214041) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide.

Molecular Properties

Compound Name4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide
PubChem CID55214041
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)CC1CCCCO1
InChIInChI=1S/C12H25N3O2/c1-10(6-7-12(16)14-13)15(2)9-11-5-3-4-8-17-11/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyUBCRXPQFOZUXND-UHFFFAOYSA-N
XLogP0.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.65
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 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide?
The IUPAC name of 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide (CID 55214041) is 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide.
What is the SMILES notation for 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide?
The canonical SMILES for 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide is CC(CCC(=O)NN)N(C)CC1CCCCO1.
What is the InChIKey of 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide?
The InChIKey is UBCRXPQFOZUXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(6-7-12(16)14-13)15(2)9-11-5-3-4-8-17-11/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide?
4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide has a molecular weight of 243.35 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxan-2-ylmethyl)amino]pentanehydrazide is sourced from PubChem (CID 55214041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).