2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine

C13H23NS — CID 79995530

IUPAC2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1CC(C)CNCC(C)C
InChIInChI=1S/C13H23NS/c1-10(2)8-14-9-11(3)7-13-12(4)5-6-15-13/h5-6,10-11,14H,7-9H2,1-4H3
InChIKeyIMWARGVCBVVVGB-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.48
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine

2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 79995530) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID79995530
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1CC(C)CNCC(C)C
InChIInChI=1S/C13H23NS/c1-10(2)8-14-9-11(3)7-13-12(4)5-6-15-13/h5-6,10-11,14H,7-9H2,1-4H3
InChIKeyIMWARGVCBVVVGB-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79995326
2-methyl-3-(3-methylthiophen-2-yl)propane-1-thiol
CID 83929103
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904562
2-methyl-1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929151
3-(4-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64664397
N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine
CID 115667086
3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528904
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674
3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107361240
3-methyl-5-(3-methylthiophen-2-yl)-N-propylpentan-1-amine
CID 65303987
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
2-methyl-3-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102837813

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine (CID 79995530) is 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine is Cc1ccsc1CC(C)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is IMWARGVCBVVVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-10(2)8-14-9-11(3)7-13-12(4)5-6-15-13/h5-6,10-11,14H,7-9H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 79995530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).