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

C16H28N2S — CID 63292083

IUPAC2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(Cc1cccs1)N1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H28N2S/c1-13(10-15-6-5-9-19-15)18-8-7-14(12-18)11-17-16(2,3)4/h5-6,9,13-14,17H,7-8,10-12H2,1-4H3
InChIKeyMTVNRBHRFFLIAO-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds5

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

2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 63292083) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID63292083
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(Cc1cccs1)N1CCC(CNC(C)(C)C)C1
InChIInChI=1S/C16H28N2S/c1-13(10-15-6-5-9-19-15)18-8-7-14(12-18)11-17-16(2,3)4/h5-6,9,13-14,17H,7-8,10-12H2,1-4H3
InChIKeyMTVNRBHRFFLIAO-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
N,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55171951
2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 107887847
2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine
CID 62512117
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)butane-1,2-diamine
CID 79486169
3-butan-2-yl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64954403
N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511650
N,3-dimethyl-1-thiophen-2-ylhexan-2-amine
CID 61064795
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 63292083) is 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(Cc1cccs1)N1CCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is MTVNRBHRFFLIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(10-15-6-5-9-19-15)18-8-7-14(12-18)11-17-16(2,3)4/h5-6,9,13-14,17H,7-8,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63292083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).