ethane;2-methylpropanamide;molecular hydrogen

C6H17NO — CID 143394269

IUPACethane;2-methylpropanamide;molecular hydrogen
SMILESCC.CC(C)C(N)=O.[H][H]
InChIInChI=1S/C4H9NO.C2H6.H2/c1-3(2)4(5)6;1-2;/h3H,1-2H3,(H2,5,6);1-2H3;1H
InChIKeyYPSCEFPMEHDUCF-UHFFFAOYSA-N
MW119.21 g/mol
LogP1.40
Rot. Bonds1

About ethane;2-methylpropanamide;molecular hydrogen

ethane;2-methylpropanamide;molecular hydrogen (PubChem CID 143394269) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is ethane;2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methylpropanamide;molecular hydrogen
PubChem CID143394269
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Nameethane;2-methylpropanamide;molecular hydrogen
SMILESCC.CC(C)C(N)=O.[H][H]
InChIInChI=1S/C4H9NO.C2H6.H2/c1-3(2)4(5)6;1-2;/h3H,1-2H3,(H2,5,6);1-2H3;1H
InChIKeyYPSCEFPMEHDUCF-UHFFFAOYSA-N
XLogP1.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;2-methylpropanamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropanamide;molecular hydrogen?
The IUPAC name of ethane;2-methylpropanamide;molecular hydrogen (CID 143394269) is ethane;2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for ethane;2-methylpropanamide;molecular hydrogen?
The canonical SMILES for ethane;2-methylpropanamide;molecular hydrogen is CC.CC(C)C(N)=O.[H][H].
What is the InChIKey of ethane;2-methylpropanamide;molecular hydrogen?
The InChIKey is YPSCEFPMEHDUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6.H2/c1-3(2)4(5)6;1-2;/h3H,1-2H3,(H2,5,6);1-2H3;1H.
What are the key properties of ethane;2-methylpropanamide;molecular hydrogen?
ethane;2-methylpropanamide;molecular hydrogen has a molecular weight of 119.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 143394269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).