2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine

C12H19NS — CID 79340295

IUPAC2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1sccc1C
InChIInChI=1S/C12H19NS/c1-4-6-13-9-10(2)8-12-11(3)5-7-14-12/h5,7-8,13H,4,6,9H2,1-3H3
InChIKeyOTGBVTYBLPOGKD-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.46
Rot. Bonds5

About 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine

2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 79340295) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine
PubChem CID79340295
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1sccc1C
InChIInChI=1S/C12H19NS/c1-4-6-13-9-10(2)8-12-11(3)5-7-14-12/h5,7-8,13H,4,6,9H2,1-3H3
InChIKeyOTGBVTYBLPOGKD-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-bromothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 115381593
N-[2-methyl-3-(3-methylthiophen-2-yl)prop-2-enyl]cyclopropanamine
CID 79340845
(E)-4-(3-methylthiophen-2-yl)-N-propylbut-3-en-2-amine
CID 103092879
3-(4-bromo-3-methylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341442
3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 79426916
(E)-N,3-dimethyl-4-(3-methylthiophen-2-yl)but-3-en-2-amine
CID 103093192
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
CID 79340910
3-(3,5-dimethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340398
N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
CID 79341006
4-methoxy-N,N-dimethyl-5-[2-methyl-3-(propylamino)prop-1-enyl]-1,3-thiazol-2-amine
CID 79341219
3-(3-ethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340193
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine (CID 79340295) is 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine is CCCNCC(C)=Cc1sccc1C.
What is the InChIKey of 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is OTGBVTYBLPOGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-6-13-9-10(2)8-12-11(3)5-7-14-12/h5,7-8,13H,4,6,9H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine?
2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79340295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).