2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one

C17H35N3O — CID 63164953

IUPAC2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CCC(N(CC)CC)C1
InChIInChI=1S/C17H35N3O/c1-5-10-17(14-18,11-6-2)16(21)20-12-9-15(13-20)19(7-3)8-4/h15H,5-14,18H2,1-4H3
InChIKeyOBYDNMYYGYUMTD-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.47
Rot. Bonds9

About 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one

2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one (PubChem CID 63164953) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one
PubChem CID63164953
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CN)(CCC)C(=O)N1CCC(N(CC)CC)C1
InChIInChI=1S/C17H35N3O/c1-5-10-17(14-18,11-6-2)16(21)20-12-9-15(13-20)19(7-3)8-4/h15H,5-14,18H2,1-4H3
InChIKeyOBYDNMYYGYUMTD-UHFFFAOYSA-N
XLogP2.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-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

2-(aminomethyl)-1-(3-hydroxypyrrolidin-1-yl)-2-propylpentan-1-one
CID 62941721
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;dihydrochloride
CID 119843250
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 102956890
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
2-(aminomethyl)-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-propylpentan-1-one
CID 81464919
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 63549343
2-(aminomethyl)-2-ethyl-1-(3-hydroxypyrrolidin-1-yl)butan-1-one
CID 62942263
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502802
2-amino-1-[4-(diethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 61264863
ethyl 2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetate
CID 63174646
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one (CID 63164953) is 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one is CCCC(CN)(CCC)C(=O)N1CCC(N(CC)CC)C1.
What is the InChIKey of 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one?
The InChIKey is OBYDNMYYGYUMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-10-17(14-18,11-6-2)16(21)20-12-9-15(13-20)19(7-3)8-4/h15H,5-14,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one?
2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one has a molecular weight of 297.49 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one is sourced from PubChem (CID 63164953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).