2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one

C16H33N3O — CID 81464919

IUPAC2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H33N3O/c1-6-8-16(12-17,9-7-2)15(20)19-10-13(3)14(11-19)18(4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyWIERODKQEHRVEU-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.94
Rot. Bonds7

About 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one

2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one (PubChem CID 81464919) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one
PubChem CID81464919
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H33N3O/c1-6-8-16(12-17,9-7-2)15(20)19-10-13(3)14(11-19)18(4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyWIERODKQEHRVEU-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 102956890
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82821317
2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-2-propylpentan-1-one
CID 62941721
2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one
CID 63164953
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]hexan-1-one
CID 81465315
4-(2-aminoethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]heptan-1-one
CID 81463809
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentane-1,4-dione
CID 81463828
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283
5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 104685422
2-(aminomethyl)-1-(2,3-dimethylpiperidin-1-yl)-2-propylpentan-1-one
CID 62124809
(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 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one (CID 81464919) is 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one is CCCC(CN)(CCC)C(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one?
The InChIKey is WIERODKQEHRVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-8-16(12-17,9-7-2)15(20)19-10-13(3)14(11-19)18(4)5/h13-14H,6-12,17H2,1-5H3.
What are the key properties of 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one?
2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one has a molecular weight of 283.46 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one is sourced from PubChem (CID 81464919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).