N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide

C10H21N3O — CID 66567395

IUPACN-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@@H]1CCCN1CCN
InChIInChI=1S/C10H21N3O/c1-9(14)12(2)8-10-4-3-6-13(10)7-5-11/h10H,3-8,11H2,1-2H3/t10-/m0/s1
InChIKeyOHAFSOVRPPKXHV-JTQLQIEISA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds4

About N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide

N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide (PubChem CID 66567395) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
PubChem CID66567395
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C[C@@H]1CCCN1CCN
InChIInChI=1S/C10H21N3O/c1-9(14)12(2)8-10-4-3-6-13(10)7-5-11/h10H,3-8,11H2,1-2H3/t10-/m0/s1
InChIKeyOHAFSOVRPPKXHV-JTQLQIEISA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]-N-methylacetamide
CID 71304532
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
CID 62888278
N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 66567339
1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
CID 79314420
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
CID 92982304
tert-butyl N-[[(2S)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-ethylcarbamate
CID 96553576
4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79313305
N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide
CID 96554398
N-propan-2-yl-N-[(1-propylpiperidin-2-yl)methyl]acetamide
CID 163258053
5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79314072
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide (CID 66567395) is N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide is CC(=O)N(C)C[C@@H]1CCCN1CCN.
What is the InChIKey of N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide?
The InChIKey is OHAFSOVRPPKXHV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(14)12(2)8-10-4-3-6-13(10)7-5-11/h10H,3-8,11H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide?
N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide has a molecular weight of 199.30 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 66567395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).