3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide

C10H21N3O2 — CID 63582887

IUPAC3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC1CCCO1
InChIInChI=1S/C10H21N3O2/c1-8(6-10(14)12-11)13(2)7-9-4-3-5-15-9/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyGOKNHRRBIWQBET-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.13
Rot. Bonds5

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

3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide (PubChem CID 63582887) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide
PubChem CID63582887
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide
SMILESCC(CC(=O)NN)N(C)CC1CCCO1
InChIInChI=1S/C10H21N3O2/c1-8(6-10(14)12-11)13(2)7-9-4-3-5-15-9/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyGOKNHRRBIWQBET-UHFFFAOYSA-N
XLogP-0.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.13
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(oxolan-2-ylmethyl)amino]butanehydrazide?
The IUPAC name of 3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide (CID 63582887) is 3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide.
What is the SMILES notation for 3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide?
The canonical SMILES for 3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide is CC(CC(=O)NN)N(C)CC1CCCO1.
What is the InChIKey of 3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide?
The InChIKey is GOKNHRRBIWQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(6-10(14)12-11)13(2)7-9-4-3-5-15-9/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide?
3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide has a molecular weight of 215.30 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide is sourced from PubChem (CID 63582887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).