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

C11H21N3O — CID 107424618

IUPAC2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCC1(NCC(=O)N2CCCC2)CCNC1
InChIInChI=1S/C11H21N3O/c1-11(4-5-12-9-11)13-8-10(15)14-6-2-3-7-14/h12-13H,2-9H2,1H3
InChIKeyKDPMZWXLASDFJJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.05
Rot. Bonds3

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

2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 107424618) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID107424618
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCC1(NCC(=O)N2CCCC2)CCNC1
InChIInChI=1S/C11H21N3O/c1-11(4-5-12-9-11)13-8-10(15)14-6-2-3-7-14/h12-13H,2-9H2,1H3
InChIKeyKDPMZWXLASDFJJ-UHFFFAOYSA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-methylpyrrolidin-3-yl)amino]ethanone
CID 107424157
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107424383
2-[(3-methylpyrrolidin-3-yl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 107424258
N-(4-methylpiperidin-4-yl)azepane-1-carboxamide
CID 114696669
2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
CID 107143014
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
2-(3-fluoropyrrolidin-3-yl)-1-pyrrolidin-1-ylethanone
CID 84721235
N,N-dibutyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423973
methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate
CID 107424033
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
1-(azepan-1-yl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120897835

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone (CID 107424618) is 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone is CC1(NCC(=O)N2CCCC2)CCNC1.
What is the InChIKey of 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is KDPMZWXLASDFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(4-5-12-9-11)13-8-10(15)14-6-2-3-7-14/h12-13H,2-9H2,1H3.
What are the key properties of 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 211.31 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 107424618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).