3-[bis(3-methylbutyl)amino]butanehydrazide

C14H31N3O — CID 114011284

IUPAC3-[bis(3-methylbutyl)amino]butanehydrazide
SMILESCC(C)CCN(CCC(C)C)C(C)CC(=O)NN
InChIInChI=1S/C14H31N3O/c1-11(2)6-8-17(9-7-12(3)4)13(5)10-14(18)16-15/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyNOXLMYAXYKXBOS-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.15
Rot. Bonds9

About 3-[bis(3-methylbutyl)amino]butanehydrazide

3-[bis(3-methylbutyl)amino]butanehydrazide (PubChem CID 114011284) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[bis(3-methylbutyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-[bis(3-methylbutyl)amino]butanehydrazide
PubChem CID114011284
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-[bis(3-methylbutyl)amino]butanehydrazide
SMILESCC(C)CCN(CCC(C)C)C(C)CC(=O)NN
InChIInChI=1S/C14H31N3O/c1-11(2)6-8-17(9-7-12(3)4)13(5)10-14(18)16-15/h11-13H,6-10,15H2,1-5H3,(H,16,18)
InChIKeyNOXLMYAXYKXBOS-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.15
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 3-[bis(3-methylbutyl)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

3-[bis(2-methylpropyl)amino]butanehydrazide
CID 63583922
4-[bis(3-methylbutyl)amino]pentan-2-one
CID 107870497
ethyl 3-[bis(3-methylbutyl)amino]butanoate
CID 107870305
3-[2-methylpropyl(propan-2-yl)amino]butanehydrazide
CID 63579651
2-[methyl(3-methylbutyl)amino]acetohydrazide
CID 63578577
3-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63585782
N-ethyl-2-[ethyl-(4-hydrazinyl-4-oxobutan-2-yl)amino]acetamide
CID 63577879
3-methylhexanedihydrazide
CID 141312622
3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63578194
2-[(4-hydrazinyl-4-oxobutan-2-yl)-methylamino]-N,N-dimethylacetamide
CID 63573657
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]acetohydrazide
CID 105351919
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butanehydrazide
CID 55213672

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methylbutyl)amino]butanehydrazide?
The IUPAC name of 3-[bis(3-methylbutyl)amino]butanehydrazide (CID 114011284) is 3-[bis(3-methylbutyl)amino]butanehydrazide.
What is the SMILES notation for 3-[bis(3-methylbutyl)amino]butanehydrazide?
The canonical SMILES for 3-[bis(3-methylbutyl)amino]butanehydrazide is CC(C)CCN(CCC(C)C)C(C)CC(=O)NN.
What is the InChIKey of 3-[bis(3-methylbutyl)amino]butanehydrazide?
The InChIKey is NOXLMYAXYKXBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-11(2)6-8-17(9-7-12(3)4)13(5)10-14(18)16-15/h11-13H,6-10,15H2,1-5H3,(H,16,18).
What are the key properties of 3-[bis(3-methylbutyl)amino]butanehydrazide?
3-[bis(3-methylbutyl)amino]butanehydrazide has a molecular weight of 257.42 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methylbutyl)amino]butanehydrazide is sourced from PubChem (CID 114011284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).