2-[bis(3-methylbutyl)amino]acetohydrazide

C12H27N3O — CID 17547

IUPAC2-[bis(3-methylbutyl)amino]acetohydrazide
SMILESCC(C)CCN(CCC(C)C)CC(=O)NN
InChIInChI=1S/C12H27N3O/c1-10(2)5-7-15(8-6-11(3)4)9-12(16)14-13/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeyDZXVCUMOIWJBLL-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.37
Rot. Bonds8

About 2-[bis(3-methylbutyl)amino]acetohydrazide

2-[bis(3-methylbutyl)amino]acetohydrazide (PubChem CID 17547) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[bis(3-methylbutyl)amino]acetohydrazide.

Molecular Properties

Compound Name2-[bis(3-methylbutyl)amino]acetohydrazide
PubChem CID17547
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[bis(3-methylbutyl)amino]acetohydrazide
SMILESCC(C)CCN(CCC(C)C)CC(=O)NN
InChIInChI=1S/C12H27N3O/c1-10(2)5-7-15(8-6-11(3)4)9-12(16)14-13/h10-11H,5-9,13H2,1-4H3,(H,14,16)
InChIKeyDZXVCUMOIWJBLL-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-methylbutyl)amino]acetohydrazide?
The IUPAC name of 2-[bis(3-methylbutyl)amino]acetohydrazide (CID 17547) is 2-[bis(3-methylbutyl)amino]acetohydrazide.
What is the SMILES notation for 2-[bis(3-methylbutyl)amino]acetohydrazide?
The canonical SMILES for 2-[bis(3-methylbutyl)amino]acetohydrazide is CC(C)CCN(CCC(C)C)CC(=O)NN.
What is the InChIKey of 2-[bis(3-methylbutyl)amino]acetohydrazide?
The InChIKey is DZXVCUMOIWJBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(2)5-7-15(8-6-11(3)4)9-12(16)14-13/h10-11H,5-9,13H2,1-4H3,(H,14,16).
What are the key properties of 2-[bis(3-methylbutyl)amino]acetohydrazide?
2-[bis(3-methylbutyl)amino]acetohydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-methylbutyl)amino]acetohydrazide is sourced from PubChem (CID 17547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).