2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone

C17H31N3O2 — CID 120901096

IUPAC2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCC1(CN(CC(=O)N2CCCC2)CC2CCCO2)CCNC1
InChIInChI=1S/C17H31N3O2/c1-17(6-7-18-13-17)14-19(11-15-5-4-10-22-15)12-16(21)20-8-2-3-9-20/h15,18H,2-14H2,1H3
InChIKeyDTQXKZYATJVOLU-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.09
Rot. Bonds6

About 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone

2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 120901096) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID120901096
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCC1(CN(CC(=O)N2CCCC2)CC2CCCO2)CCNC1
InChIInChI=1S/C17H31N3O2/c1-17(6-7-18-13-17)14-19(11-15-5-4-10-22-15)12-16(21)20-8-2-3-9-20/h15,18H,2-14H2,1H3
InChIKeyDTQXKZYATJVOLU-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone 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

N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 120898763
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 120905253
2-[1,2-oxazol-5-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 95903622
N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide
CID 146092937
N,4-dimethyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 63122472
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394222
2-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394221
2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 97160116
2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 71988605
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 86825071

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone (CID 120901096) is 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone is CC1(CN(CC(=O)N2CCCC2)CC2CCCO2)CCNC1.
What is the InChIKey of 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is DTQXKZYATJVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(6-7-18-13-17)14-19(11-15-5-4-10-22-15)12-16(21)20-8-2-3-9-20/h15,18H,2-14H2,1H3.
What are the key properties of 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone?
2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 309.45 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-3-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 120901096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).