4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one

C16H33N3O — CID 81463809

IUPAC4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one
SMILESCCCC(CCN)CCC(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H33N3O/c1-5-6-14(9-10-17)7-8-16(20)19-11-13(2)15(12-19)18(3)4/h13-15H,5-12,17H2,1-4H3
InChIKeyLJLAZIIVVLTSKX-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.94
Rot. Bonds8

About 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one

4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one (PubChem CID 81463809) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one
PubChem CID81463809
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one
SMILESCCCC(CCN)CCC(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H33N3O/c1-5-6-14(9-10-17)7-8-16(20)19-11-13(2)15(12-19)18(3)4/h13-15H,5-12,17H2,1-4H3
InChIKeyLJLAZIIVVLTSKX-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one
CID 66371217
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentane-1,4-dione
CID 81463828
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910
6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one
CID 114678379
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]hexan-1-one
CID 81465315
5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 104685422
2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one
CID 81464919
4-(2-aminoethyl)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-one
CID 114409352
(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567351
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentanehydrazide
CID 83047306
(2S,3S)-2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-methylpentan-1-one
CID 81463691

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one?
The IUPAC name of 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one (CID 81463809) is 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one is CCCC(CCN)CCC(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one?
The InChIKey is LJLAZIIVVLTSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-6-14(9-10-17)7-8-16(20)19-11-13(2)15(12-19)18(3)4/h13-15H,5-12,17H2,1-4H3.
What are the key properties of 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one?
4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one has a molecular weight of 283.46 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one is sourced from PubChem (CID 81463809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).