3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide

C13H23N3O2 — CID 63579656

IUPAC3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide
SMILESCc1cc(CN(C)CCC(C)C)oc1C(=O)NN
InChIInChI=1S/C13H23N3O2/c1-9(2)5-6-16(4)8-11-7-10(3)12(18-11)13(17)15-14/h7,9H,5-6,8,14H2,1-4H3,(H,15,17)
InChIKeyVPCUNJLWIHSRHN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.67
Rot. Bonds6

About 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide

3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63579656) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide
PubChem CID63579656
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide
SMILESCc1cc(CN(C)CCC(C)C)oc1C(=O)NN
InChIInChI=1S/C13H23N3O2/c1-9(2)5-6-16(4)8-11-7-10(3)12(18-11)13(17)15-14/h7,9H,5-6,8,14H2,1-4H3,(H,15,17)
InChIKeyVPCUNJLWIHSRHN-UHFFFAOYSA-N
XLogP1.67
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.67
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'}

Analyze 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide (CID 63579656) is 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide is Cc1cc(CN(C)CCC(C)C)oc1C(=O)NN.
What is the InChIKey of 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is VPCUNJLWIHSRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)5-6-16(4)8-11-7-10(3)12(18-11)13(17)15-14/h7,9H,5-6,8,14H2,1-4H3,(H,15,17).
What are the key properties of 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide?
3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 253.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[methyl(3-methylbutyl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63579656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).