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

C7H16N2 — CID 59120846

IUPAC(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
SMILESC[C@H](N)C1CCCN1C
InChIInChI=1S/C7H16N2/c1-6(8)7-4-3-5-9(7)2/h6-7H,3-5,8H2,1-2H3/t6-,7?/m0/s1
InChIKeyHQJHQAPGVPTEET-PKPIPKONSA-N
MW128.22 g/mol
LogP0.43
Rot. Bonds1

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

(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine (PubChem CID 59120846) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
PubChem CID59120846
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
SMILESC[C@H](N)C1CCCN1C
InChIInChI=1S/C7H16N2/c1-6(8)7-4-3-5-9(7)2/h6-7H,3-5,8H2,1-2H3/t6-,7?/m0/s1
InChIKeyHQJHQAPGVPTEET-PKPIPKONSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
1-(1-ethylpyrrolidin-2-yl)ethanamine
CID 18672993
potassium 2-(1-methanidyloxyethyl)-1-methylpyrrolidine
CID 176961339
ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 176920826
2-benzhydryl-1-methylpyrrolidine
CID 71178925
1-methyl-2-penta-3,4-dien-2-ylpyrrolidine
CID 130241849
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 165045426
1-methyl-2-(2-methylpentan-3-yl)piperidine
CID 167033020
1-methyl-2-propan-2-ylazetidine
CID 23588958
(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine
CID 102326183
2-fluoro-2-(1-methylpyrrolidin-2-yl)ethanol
CID 105429072

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine?
The IUPAC name of (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine (CID 59120846) is (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine is C[C@H](N)C1CCCN1C.
What is the InChIKey of (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine?
The InChIKey is HQJHQAPGVPTEET-PKPIPKONSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(8)7-4-3-5-9(7)2/h6-7H,3-5,8H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine?
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine has a molecular weight of 128.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylpyrrolidin-2-yl)ethanamine is sourced from PubChem (CID 59120846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).