N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine

C12H24N2O — CID 135141577

IUPACN-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine
SMILESCNCCN1CCCC1C1OCCC1C
InChIInChI=1S/C12H24N2O/c1-10-5-9-15-12(10)11-4-3-7-14(11)8-6-13-2/h10-13H,3-9H2,1-2H3
InChIKeyQGUBVPXIUZQKSD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine

N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine (PubChem CID 135141577) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine
PubChem CID135141577
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine
SMILESCNCCN1CCCC1C1OCCC1C
InChIInChI=1S/C12H24N2O/c1-10-5-9-15-12(10)11-4-3-7-14(11)8-6-13-2/h10-13H,3-9H2,1-2H3
InChIKeyQGUBVPXIUZQKSD-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,4S)-4-fluoro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 138056632
(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine
CID 20648546
2-butyl-6-ethyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
CID 60012407
2-butyl-4-ethyl-6-methyl-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
CID 60012416
N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine
CID 65328294
(4R)-2-cyclopentyl-4-[(3R)-1-methylpyrrolidin-3-yl]oxypiperidin-3-amine
CID 138645656
2-[(2S)-2-(4-methoxycyclohexyl)pyrrolidin-1-ium-1-yl]ethylazanium
CID 140917516
4,7-Dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
CID 142528450
(3R)-N-(3,3-dimethylbutyl)-5-[2,2-dimethyl-3-[(2R)-1-methylpyrrolidin-2-yl]propyl]oxolan-3-amine
CID 146255178
4-Methyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
CID 146364725
2-Propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 148046025
2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
CID 155150895

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine (CID 135141577) is N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine is CNCCN1CCCC1C1OCCC1C.
What is the InChIKey of N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine?
The InChIKey is QGUBVPXIUZQKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-5-9-15-12(10)11-4-3-7-14(11)8-6-13-2/h10-13H,3-9H2,1-2H3.
What are the key properties of N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine?
N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(3-methyloxolan-2-yl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 135141577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).