2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine

C14H24N2S — CID 55081480

IUPAC2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(Cc2cccs2)C1
InChIInChI=1S/C14H24N2S/c1-14(2,3)15-9-12-6-7-16(10-12)11-13-5-4-8-17-13/h4-5,8,12,15H,6-7,9-11H2,1-3H3
InChIKeyOYSHGFXKUJVBAA-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.96
Rot. Bonds4

About 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 55081480) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID55081480
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(Cc2cccs2)C1
InChIInChI=1S/C14H24N2S/c1-14(2,3)15-9-12-6-7-16(10-12)11-13-5-4-8-17-13/h4-5,8,12,15H,6-7,9-11H2,1-3H3
InChIKeyOYSHGFXKUJVBAA-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63292083
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
N-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512740
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220494
1-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970535
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
CID 102959815
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081638
3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133469202
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 55081480) is 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCN(Cc2cccs2)C1.
What is the InChIKey of 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is OYSHGFXKUJVBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(2,3)15-9-12-6-7-16(10-12)11-13-5-4-8-17-13/h4-5,8,12,15H,6-7,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55081480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).