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

C13H17NS2 — CID 78963459

IUPAC2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1ccsc1)c1cccs1
InChIInChI=1S/C13H17NS2/c1-13(2,12-4-3-6-16-12)10-14-8-11-5-7-15-9-11/h3-7,9,14H,8,10H2,1-2H3
InChIKeyHJCKEHHAARFCSM-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.88
Rot. Bonds5

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

2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 78963459) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID78963459
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCC(C)(CNCc1ccsc1)c1cccs1
InChIInChI=1S/C13H17NS2/c1-13(2,12-4-3-6-16-12)10-14-8-11-5-7-15-9-11/h3-7,9,14H,8,10H2,1-2H3
InChIKeyHJCKEHHAARFCSM-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(pyrimidin-5-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 78963637
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 79032921
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963161
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963168
2-methyl-N-[(5-nitrothiophen-3-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963644
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963416
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114936828
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963193
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114842503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 78963459) is 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine is CC(C)(CNCc1ccsc1)c1cccs1.
What is the InChIKey of 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is HJCKEHHAARFCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-13(2,12-4-3-6-16-12)10-14-8-11-5-7-15-9-11/h3-7,9,14H,8,10H2,1-2H3.
What are the key properties of 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-2-yl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 78963459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).