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

C11H23N3O2 — CID 79409440

IUPAC2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide
SMILESCC(C(=O)NN)C(C)N(C)CC1CCCO1
InChIInChI=1S/C11H23N3O2/c1-8(11(15)13-12)9(2)14(3)7-10-5-4-6-16-10/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyCGWCQLCBVHINNM-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.11
Rot. Bonds5

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

2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide (PubChem CID 79409440) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide
PubChem CID79409440
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide
SMILESCC(C(=O)NN)C(C)N(C)CC1CCCO1
InChIInChI=1S/C11H23N3O2/c1-8(11(15)13-12)9(2)14(3)7-10-5-4-6-16-10/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyCGWCQLCBVHINNM-UHFFFAOYSA-N
XLogP0.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.11
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 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide?
The IUPAC name of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide (CID 79409440) is 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide.
What is the SMILES notation for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide?
The canonical SMILES for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide is CC(C(=O)NN)C(C)N(C)CC1CCCO1.
What is the InChIKey of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide?
The InChIKey is CGWCQLCBVHINNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(11(15)13-12)9(2)14(3)7-10-5-4-6-16-10/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide?
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide has a molecular weight of 229.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanehydrazide is sourced from PubChem (CID 79409440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).