2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine

C12H21NS — CID 65104961

IUPAC2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)C
InChIInChI=1S/C12H21NS/c1-5-6-13-12(9(2)3)11-7-10(4)14-8-11/h7-9,12-13H,5-6H2,1-4H3
InChIKeySEDBXFRIFFLNMX-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.75
Rot. Bonds5

About 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine

2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 65104961) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
PubChem CID65104961
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1csc(C)c1)C(C)C
InChIInChI=1S/C12H21NS/c1-5-6-13-12(9(2)3)11-7-10(4)14-8-11/h7-9,12-13H,5-6H2,1-4H3
InChIKeySEDBXFRIFFLNMX-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 79616237
2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991213
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374
N-[(3-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104805742
3,5,5-trimethyl-1-(5-methylthiophen-3-yl)-N-propylhexan-1-amine
CID 104991561
2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
CID 79068762
1-(3,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 114978904
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(3-chloro-5-methylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991233
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 104991160
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine (CID 65104961) is 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is CCCNC(c1csc(C)c1)C(C)C.
What is the InChIKey of 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is SEDBXFRIFFLNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-5-6-13-12(9(2)3)11-7-10(4)14-8-11/h7-9,12-13H,5-6H2,1-4H3.
What are the key properties of 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine?
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65104961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).