N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide

C14H26N4O — CID 62886104

IUPACN-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide
SMILESCN(C)CC1CCCN1CCC(=O)N(C)CCC#N
InChIInChI=1S/C14H26N4O/c1-16(2)12-13-6-4-10-18(13)11-7-14(19)17(3)9-5-8-15/h13H,4-7,9-12H2,1-3H3
InChIKeyCVRWLUZQFHUXPJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.77
Rot. Bonds7

About N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide

N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 62886104) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide
PubChem CID62886104
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide
SMILESCN(C)CC1CCCN1CCC(=O)N(C)CCC#N
InChIInChI=1S/C14H26N4O/c1-16(2)12-13-6-4-10-18(13)11-7-14(19)17(3)9-5-8-15/h13H,4-7,9-12H2,1-3H3
InChIKeyCVRWLUZQFHUXPJ-UHFFFAOYSA-N
XLogP0.77
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide (CID 62886104) is N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide is CN(C)CC1CCCN1CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is CVRWLUZQFHUXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-16(2)12-13-6-4-10-18(13)11-7-14(19)17(3)9-5-8-15/h13H,4-7,9-12H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 266.39 g/mol, XLogP of 0.77, 7 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)methyl]pyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 62886104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).