2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide

C9H21N3O — CID 79408784

IUPAC2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide
SMILESCC(C(=O)NN)C(C)N(C)C(C)C
InChIInChI=1S/C9H21N3O/c1-6(2)12(5)8(4)7(3)9(13)11-10/h6-8H,10H2,1-5H3,(H,11,13)
InChIKeyRJPGOJDYZHNSLN-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.34
Rot. Bonds4

About 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide

2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide (PubChem CID 79408784) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide
PubChem CID79408784
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide
SMILESCC(C(=O)NN)C(C)N(C)C(C)C
InChIInChI=1S/C9H21N3O/c1-6(2)12(5)8(4)7(3)9(13)11-10/h6-8H,10H2,1-5H3,(H,11,13)
InChIKeyRJPGOJDYZHNSLN-UHFFFAOYSA-N
XLogP0.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide
CID 79409118
2-methyl-3-[methyl(2-methylpropyl)amino]butanehydrazide
CID 79409646
2-methyl-3-sulfanylbutanehydrazide
CID 79415259
3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide
CID 107206484
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
CID 79408377
3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
CID 79409219
2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide
CID 63584854
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
CID 79408378
3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide
CID 79408692
3-[cyclobutyl(2-hydroxyethyl)amino]-2-methylbutanehydrazide
CID 102873737
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide?
The IUPAC name of 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide (CID 79408784) is 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide.
What is the SMILES notation for 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide?
The canonical SMILES for 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide is CC(C(=O)NN)C(C)N(C)C(C)C.
What is the InChIKey of 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide?
The InChIKey is RJPGOJDYZHNSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-6(2)12(5)8(4)7(3)9(13)11-10/h6-8H,10H2,1-5H3,(H,11,13).
What are the key properties of 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide?
2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide has a molecular weight of 187.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide is sourced from PubChem (CID 79408784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).