N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide

C12H24N4O — CID 55228110

IUPACN-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
SMILESCN(C)CCN(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C12H24N4O/c1-14(2)10-11-15(3)9-6-12(17)16(4)8-5-7-13/h5-6,8-11H2,1-4H3
InChIKeyIGOYKZDBJVOPCC-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.24
Rot. Bonds8

About N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide

N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide (PubChem CID 55228110) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
PubChem CID55228110
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
SMILESCN(C)CCN(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C12H24N4O/c1-14(2)10-11-15(3)9-6-12(17)16(4)8-5-7-13/h5-6,8-11H2,1-4H3
InChIKeyIGOYKZDBJVOPCC-UHFFFAOYSA-N
XLogP0.24
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81056168
N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374873
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55157025
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426059
N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
CID 60841865
N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 55002666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide (CID 55228110) is N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide is CN(C)CCN(C)CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide?
The InChIKey is IGOYKZDBJVOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-14(2)10-11-15(3)9-6-12(17)16(4)8-5-7-13/h5-6,8-11H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 55228110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).