N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine

C14H24N2S — CID 79476302

IUPACN-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCN(CCCC1CCCN1)CCc1cccs1
InChIInChI=1S/C14H24N2S/c1-16(11-8-14-7-4-12-17-14)10-3-6-13-5-2-9-15-13/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3
InChIKeyOZCKCOCVMUBAAY-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.75
Rot. Bonds7

About N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine

N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine (PubChem CID 79476302) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
PubChem CID79476302
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
SMILESCN(CCCC1CCCN1)CCc1cccs1
InChIInChI=1S/C14H24N2S/c1-16(11-8-14-7-4-12-17-14)10-3-6-13-5-2-9-15-13/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3
InChIKeyOZCKCOCVMUBAAY-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62479770
N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62480473
N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62210978
(2R)-2-(2-thiophen-2-ylethoxymethyl)pyrrolidine
CID 102820127
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
N-methyl-2-morpholin-2-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79487699
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
2-thiophen-2-ylethyl 3-piperidin-2-ylpropanoate
CID 62217215
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
(2S)-2-(thiophen-2-ylmethyl)azepane
CID 94481267

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The IUPAC name of N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine (CID 79476302) is N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine is CN(CCCC1CCCN1)CCc1cccs1.
What is the InChIKey of N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine?
The InChIKey is OZCKCOCVMUBAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-16(11-8-14-7-4-12-17-14)10-3-6-13-5-2-9-15-13/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3.
What are the key properties of N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine?
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine is sourced from PubChem (CID 79476302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).