1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine

C9H20N2 — CID 126603224

IUPAC1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCC[C@@H]1[C@H](CNC)CCN1C
InChIInChI=1S/C9H20N2/c1-4-9-8(7-10-2)5-6-11(9)3/h8-10H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeySEFNXIARODKREN-DTWKUNHWSA-N
MW156.27 g/mol
LogP0.94
Rot. Bonds3

About 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 126603224) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID126603224
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCC[C@@H]1[C@H](CNC)CCN1C
InChIInChI=1S/C9H20N2/c1-4-9-8(7-10-2)5-6-11(9)3/h8-10H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKeySEFNXIARODKREN-DTWKUNHWSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-methyl-2-propylpiperidin-3-yl)methanamine
CID 163266759
1-(1,3-dimethylpyrrolidin-2-yl)-N-methylmethanamine
CID 139356990
2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile
CID 83845546
1-[(2-ethyl-1-methylpyrrolidin-3-yl)methyl]-1-methylhydrazine
CID 167500623
(2R)-2-ethyl-1-methylpyrrolidin-3-ol
CID 143895673
[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
CID 82416011
1-[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-N-methylmethanamine
CID 129375491
4-ethyl-1,2,3-trimethylpiperidine
CID 89228905
4-ethyl-5-methyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 83847779
N-methyl-1-(1-methylaziridin-2-yl)methanamine
CID 117010139
2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
CID 178125240
2,3-diethyl-1-sulfanylpyrrolidine
CID 144764567

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 126603224) is 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine is CC[C@@H]1[C@H](CNC)CCN1C.
What is the InChIKey of 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is SEFNXIARODKREN-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-9-8(7-10-2)5-6-11(9)3/h8-10H,4-7H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 156.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 126603224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).