N-tert-butylbutanehydrazide

C8H18N2O — CID 70295637

IUPACN-tert-butylbutanehydrazide
SMILESCCCC(=O)N(N)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-5-6-7(11)10(9)8(2,3)4/h5-6,9H2,1-4H3
InChIKeyLYIWGNTUYZQROP-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.29
Rot. Bonds2

About N-tert-butylbutanehydrazide

N-tert-butylbutanehydrazide (PubChem CID 70295637) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-tert-butylbutanehydrazide.

Molecular Properties

Compound NameN-tert-butylbutanehydrazide
PubChem CID70295637
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-tert-butylbutanehydrazide
SMILESCCCC(=O)N(N)C(C)(C)C
InChIInChI=1S/C8H18N2O/c1-5-6-7(11)10(9)8(2,3)4/h5-6,9H2,1-4H3
InChIKeyLYIWGNTUYZQROP-UHFFFAOYSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-tert-butylbutanehydrazide 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

N-propylbutanehydrazide
CID 165487733
N-tert-butyl-N-(2,2-dimethylpropyl)butanamide
CID 118528660
N,N-dimethylbutanamide;hydrochloride
CID 87498306
N,N-dibromobutanamide
CID 154147629
N-(aminomethyl)-N-methylbutanamide
CID 155070465
N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323632
benzene;N-[2-[butanoyl(tert-butyl)amino]phenyl]-N-tert-butylbutanamide
CID 175323631
CID 18739109
CID 18739109
N-(3,3-dimethylbutyl)-N-methylbutanamide;ethane
CID 176686856
N-methyl-N-sulfamoylbutanamide
CID 173192281
1-[methyl(sulfinato)amino]-1-oxobutane
CID 91447373
N-acetyl-N-methylbutanamide
CID 142271883

Frequently Asked Questions

What is the IUPAC name of N-tert-butylbutanehydrazide?
The IUPAC name of N-tert-butylbutanehydrazide (CID 70295637) is N-tert-butylbutanehydrazide.
What is the SMILES notation for N-tert-butylbutanehydrazide?
The canonical SMILES for N-tert-butylbutanehydrazide is CCCC(=O)N(N)C(C)(C)C.
What is the InChIKey of N-tert-butylbutanehydrazide?
The InChIKey is LYIWGNTUYZQROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-6-7(11)10(9)8(2,3)4/h5-6,9H2,1-4H3.
What are the key properties of N-tert-butylbutanehydrazide?
N-tert-butylbutanehydrazide has a molecular weight of 158.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbutanehydrazide is sourced from PubChem (CID 70295637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).