N,N-diethylpropanamide;propane;propanenitrile

C13H28N2O — CID 157233507

IUPACN,N-diethylpropanamide;propane;propanenitrile
SMILESCCC.CCC#N.CCC(=O)N(CC)CC
InChIInChI=1S/C7H15NO.C3H5N.C3H8/c1-4-7(9)8(5-2)6-3;1-2-3-4;1-3-2/h4-6H2,1-3H3;2H2,1H3;3H2,1-2H3
InChIKeyAUJIKTOYPWLKKF-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.60
Rot. Bonds3

About N,N-diethylpropanamide;propane;propanenitrile

N,N-diethylpropanamide;propane;propanenitrile (PubChem CID 157233507) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N-diethylpropanamide;propane;propanenitrile.

Molecular Properties

Compound NameN,N-diethylpropanamide;propane;propanenitrile
PubChem CID157233507
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N-diethylpropanamide;propane;propanenitrile
SMILESCCC.CCC#N.CCC(=O)N(CC)CC
InChIInChI=1S/C7H15NO.C3H5N.C3H8/c1-4-7(9)8(5-2)6-3;1-2-3-4;1-3-2/h4-6H2,1-3H3;2H2,1H3;3H2,1-2H3
InChIKeyAUJIKTOYPWLKKF-UHFFFAOYSA-N
XLogP3.60
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropanamide;propane;propanenitrile?
The IUPAC name of N,N-diethylpropanamide;propane;propanenitrile (CID 157233507) is N,N-diethylpropanamide;propane;propanenitrile.
What is the SMILES notation for N,N-diethylpropanamide;propane;propanenitrile?
The canonical SMILES for N,N-diethylpropanamide;propane;propanenitrile is CCC.CCC#N.CCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethylpropanamide;propane;propanenitrile?
The InChIKey is AUJIKTOYPWLKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C3H5N.C3H8/c1-4-7(9)8(5-2)6-3;1-2-3-4;1-3-2/h4-6H2,1-3H3;2H2,1H3;3H2,1-2H3.
What are the key properties of N,N-diethylpropanamide;propane;propanenitrile?
N,N-diethylpropanamide;propane;propanenitrile has a molecular weight of 228.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpropanamide;propane;propanenitrile is sourced from PubChem (CID 157233507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).