3-[bis(2-methylpropyl)amino]butanehydrazide

C12H27N3O — CID 63583922

IUPAC3-[bis(2-methylpropyl)amino]butanehydrazide
SMILESCC(C)CN(CC(C)C)C(C)CC(=O)NN
InChIInChI=1S/C12H27N3O/c1-9(2)7-15(8-10(3)4)11(5)6-12(16)14-13/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyYITSZEINTJEZTG-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.37
Rot. Bonds7

About 3-[bis(2-methylpropyl)amino]butanehydrazide

3-[bis(2-methylpropyl)amino]butanehydrazide (PubChem CID 63583922) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]butanehydrazide
PubChem CID63583922
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[bis(2-methylpropyl)amino]butanehydrazide
SMILESCC(C)CN(CC(C)C)C(C)CC(=O)NN
InChIInChI=1S/C12H27N3O/c1-9(2)7-15(8-10(3)4)11(5)6-12(16)14-13/h9-11H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyYITSZEINTJEZTG-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

3-[bis(3-methylbutyl)amino]butanehydrazide
CID 114011284
3-[2-methylpropyl(propan-2-yl)amino]butanehydrazide
CID 63579651
N-ethyl-2-[ethyl-(4-hydrazinyl-4-oxobutan-2-yl)amino]acetamide
CID 63577879
2-[bis(2-methylpropyl)amino]propanehydrazide
CID 63585398
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
2-[ethyl(2-methylpropyl)amino]acetohydrazide
CID 63574008
2-[bis(2-methylpropyl)amino]butanehydrazide
CID 63585587
2-[ethyl(2-methylpropyl)amino]-3-methylbutanehydrazide
CID 63571387
3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63578194
2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
CID 63573657
3-phosphanylbutanehydrazide
CID 163485274
3-[1-methoxypropan-2-yl(methyl)amino]butanehydrazide
CID 63583760

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]butanehydrazide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]butanehydrazide (CID 63583922) is 3-[bis(2-methylpropyl)amino]butanehydrazide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]butanehydrazide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]butanehydrazide is CC(C)CN(CC(C)C)C(C)CC(=O)NN.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]butanehydrazide?
The InChIKey is YITSZEINTJEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-9(2)7-15(8-10(3)4)11(5)6-12(16)14-13/h9-11H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 3-[bis(2-methylpropyl)amino]butanehydrazide?
3-[bis(2-methylpropyl)amino]butanehydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]butanehydrazide is sourced from PubChem (CID 63583922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).