2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide

C12H27N3O — CID 79409118

IUPAC2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide
SMILESCC(C)CC(C)N(C)C(C)C(C)C(=O)NN
InChIInChI=1S/C12H27N3O/c1-8(2)7-9(3)15(6)11(5)10(4)12(16)14-13/h8-11H,7,13H2,1-6H3,(H,14,16)
InChIKeyAUPBZVYYEYPXCP-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.37
Rot. Bonds6

About 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide

2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide (PubChem CID 79409118) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide
PubChem CID79409118
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide
SMILESCC(C)CC(C)N(C)C(C)C(C)C(=O)NN
InChIInChI=1S/C12H27N3O/c1-8(2)7-9(3)15(6)11(5)10(4)12(16)14-13/h8-11H,7,13H2,1-6H3,(H,14,16)
InChIKeyAUPBZVYYEYPXCP-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.37
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'}

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Related Compounds

2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide
CID 79408784
2-methyl-3-[methyl(2-methylpropyl)amino]butanehydrazide
CID 79409646
3-[butyl(ethyl)amino]-2-methylbutanehydrazide
CID 79409321
3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
CID 79409219
3-[5-hydroxypentyl(methyl)amino]-2-methylbutanehydrazide
CID 107206484
2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
CID 63571581
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
CID 79408378
3-[2-cyanopropyl(ethyl)amino]-2-methylbutanehydrazide
CID 79408692
2-methyl-3-sulfanylbutanehydrazide
CID 79415259
2-[ethyl(2-methylpropyl)amino]-3-methylbutanehydrazide
CID 63571387
3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
CID 79408377
3-[ethyl(piperidin-4-yl)amino]-2-methylbutanehydrazide
CID 79408588

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide?
The IUPAC name of 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide (CID 79409118) is 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide.
What is the SMILES notation for 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide?
The canonical SMILES for 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide is CC(C)CC(C)N(C)C(C)C(C)C(=O)NN.
What is the InChIKey of 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide?
The InChIKey is AUPBZVYYEYPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-8(2)7-9(3)15(6)11(5)10(4)12(16)14-13/h8-11H,7,13H2,1-6H3,(H,14,16).
What are the key properties of 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide?
2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide is sourced from PubChem (CID 79409118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).