2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone

C13H25N3O — CID 65480925

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)CC1(CCN)CC1
InChIInChI=1S/C13H25N3O/c1-15(11-13(4-5-13)6-7-14)10-12(17)16-8-2-3-9-16/h2-11,14H2,1H3
InChIKeyYVWWFYXBZAGLIC-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds6

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone

2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 65480925) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID65480925
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)CC1(CCN)CC1
InChIInChI=1S/C13H25N3O/c1-15(11-13(4-5-13)6-7-14)10-12(17)16-8-2-3-9-16/h2-11,14H2,1H3
InChIKeyYVWWFYXBZAGLIC-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 55048950
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethanethioamide
CID 60730410
3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 55028667
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 62004874
2-[1-aminopentan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 61438684
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 65213919
1-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pentan-2-one
CID 62044659
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 65247152
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 61442057

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone (CID 65480925) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)CC1(CCN)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is YVWWFYXBZAGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(11-13(4-5-13)6-7-14)10-12(17)16-8-2-3-9-16/h2-11,14H2,1H3.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone?
2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 239.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 65480925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).