2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine

C7H16N2 — CID 643509

IUPAC2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine
SMILESCN1CCC[C@H]1CCN
InChIInChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyPNHGJPJOMCXSKN-ZETCQYMHSA-N
MW128.22 g/mol
LogP0.43
Rot. Bonds2

About 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine

2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine (PubChem CID 643509) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine
PubChem CID643509
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine
SMILESCN1CCC[C@H]1CCN
InChIInChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyPNHGJPJOMCXSKN-ZETCQYMHSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminomethyl-1-ethylpyrrolidine
CID 117295
2-(2-Aminoethyl)-1-methylpyrrolidine
CID 98388
2,5-Dimethylpyrrolidine
CID 96034
2,5-Dimethylpyrrolidine, (2R,5R)-
CID 641767
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
cis-2,5-Dimethylpyrrolidine
CID 5324511
((2S)-1-methylpyrrolidin-2-yl)methanamine
CID 21307221
2-(2-Methylpyrrolidin-1-yl)ethan-1-amine
CID 15154301
1-Methylpyrrolidine-2-methylamine
CID 117300
2-Ethylpyrrolidine
CID 4993465
2,5-Dimethylpyrrolidine, (2S,5S)-
CID 6994099

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine (CID 643509) is 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine is CN1CCC[C@H]1CCN.
What is the InChIKey of 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine?
The InChIKey is PNHGJPJOMCXSKN-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine?
2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine has a molecular weight of 128.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 643509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).