N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine

C7H16N2 — CID 70272075

IUPACN-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
SMILESCNC(C)[C@H]1CCNC1
InChIInChI=1S/C7H16N2/c1-6(8-2)7-3-4-9-5-7/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyGBVBYEVLALCXBL-MLWJPKLSSA-N
MW128.22 g/mol
LogP0.20
Rot. Bonds2

About N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine

N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine (PubChem CID 70272075) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
PubChem CID70272075
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
SMILESCNC(C)[C@H]1CCNC1
InChIInChI=1S/C7H16N2/c1-6(8-2)7-3-4-9-5-7/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyGBVBYEVLALCXBL-MLWJPKLSSA-N
XLogP0.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 15223500
(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10034728
ethane;N-ethyl-1-pyrrolidin-3-ylethanamine;propane
CID 143400696
(1S)-N-(2-fluoroethyl)-1-[(3R)-pyrrolidin-3-yl]ethanamine
CID 59526811
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
2-cyclopropyl-N-(1-pyrrolidin-3-ylethyl)propanamide
CID 103977089
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
(3S)-3-(1-cyclobutylethyl)pyrrolidine
CID 58803048
1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977252
N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 103977188
N-benzyl-1-pyrrolidin-3-ylethanamine
CID 67740101

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine (CID 70272075) is N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine is CNC(C)[C@H]1CCNC1.
What is the InChIKey of N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine?
The InChIKey is GBVBYEVLALCXBL-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(8-2)7-3-4-9-5-7/h6-9H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine?
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine has a molecular weight of 128.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 70272075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).