propane;N,2,2-trimethylpropanamide

C9H21NO — CID 142087559

IUPACpropane;N,2,2-trimethylpropanamide
SMILESCCC.CNC(=O)C(C)(C)C
InChIInChI=1S/C6H13NO.C3H8/c1-6(2,3)5(8)7-4;1-3-2/h1-4H3,(H,7,8);3H2,1-2H3
InChIKeyWEMBNULKIPFDJD-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.19
Rot. Bonds

About propane;N,2,2-trimethylpropanamide

propane;N,2,2-trimethylpropanamide (PubChem CID 142087559) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is propane;N,2,2-trimethylpropanamide.

Molecular Properties

Compound Namepropane;N,2,2-trimethylpropanamide
PubChem CID142087559
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Namepropane;N,2,2-trimethylpropanamide
SMILESCCC.CNC(=O)C(C)(C)C
InChIInChI=1S/C6H13NO.C3H8/c1-6(2,3)5(8)7-4;1-3-2/h1-4H3,(H,7,8);3H2,1-2H3
InChIKeyWEMBNULKIPFDJD-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane;N,2,2-trimethylpropanamide?
The IUPAC name of propane;N,2,2-trimethylpropanamide (CID 142087559) is propane;N,2,2-trimethylpropanamide.
What is the SMILES notation for propane;N,2,2-trimethylpropanamide?
The canonical SMILES for propane;N,2,2-trimethylpropanamide is CCC.CNC(=O)C(C)(C)C.
What is the InChIKey of propane;N,2,2-trimethylpropanamide?
The InChIKey is WEMBNULKIPFDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C3H8/c1-6(2,3)5(8)7-4;1-3-2/h1-4H3,(H,7,8);3H2,1-2H3.
What are the key properties of propane;N,2,2-trimethylpropanamide?
propane;N,2,2-trimethylpropanamide has a molecular weight of 159.27 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N,2,2-trimethylpropanamide is sourced from PubChem (CID 142087559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).