2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide

C12H27N3O — CID 63584854

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)C(C)C(C)(C)C
InChIInChI=1S/C12H27N3O/c1-8(2)10(11(16)14-13)15(7)9(3)12(4,5)6/h8-10H,13H2,1-7H3,(H,14,16)
InChIKeyXBLDOZJOJXNOIE-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.37
Rot. Bonds4

About 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide

2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide (PubChem CID 63584854) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide
PubChem CID63584854
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)C(C)C(C)(C)C
InChIInChI=1S/C12H27N3O/c1-8(2)10(11(16)14-13)15(7)9(3)12(4,5)6/h8-10H,13H2,1-7H3,(H,14,16)
InChIKeyXBLDOZJOJXNOIE-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[2-hydroxyethyl(methyl)amino]-3-methylbutanehydrazide
CID 63572653
2-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-methylamino]acetamide
CID 63573846
4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid
CID 64693991
2-[butan-2-yl(ethyl)amino]-3-methylbutanehydrazide
CID 63571581
2-methyl-3-[methyl(propan-2-yl)amino]butanehydrazide
CID 79408784
2-[ethyl(2-methylpropyl)amino]-3-methylbutanehydrazide
CID 63571387
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide
CID 63585409
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938
2-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methylpentanamide
CID 64710434
2-methyl-3-[methyl(4-methylpentan-2-yl)amino]butanehydrazide
CID 79409118
N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119627492

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide (CID 63584854) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide is CC(C)C(C(=O)NN)N(C)C(C)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide?
The InChIKey is XBLDOZJOJXNOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-8(2)10(11(16)14-13)15(7)9(3)12(4,5)6/h8-10H,13H2,1-7H3,(H,14,16).
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-3-methylbutanehydrazide is sourced from PubChem (CID 63584854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).