3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine

C12H19NS — CID 79179129

IUPAC3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1ccsc1
InChIInChI=1S/C12H19NS/c1-4-6-13-12(8-10(2)3)11-5-7-14-9-11/h5,7,9,12-13H,2,4,6,8H2,1,3H3
InChIKeyIKABRBQGUKRGPW-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.76
Rot. Bonds6

About 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine

3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine (PubChem CID 79179129) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine
PubChem CID79179129
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)c1ccsc1
InChIInChI=1S/C12H19NS/c1-4-6-13-12(8-10(2)3)11-5-7-14-9-11/h5,7,9,12-13H,2,4,6,8H2,1,3H3
InChIKeyIKABRBQGUKRGPW-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
1-(3,4-dimethylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004182
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946
5-methyl-N-propyl-1-thiophen-3-ylhexan-1-amine
CID 83161557
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
1-(4-butoxyphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105163105
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine (CID 79179129) is 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine is C=C(C)CC(NCCC)c1ccsc1.
What is the InChIKey of 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine?
The InChIKey is IKABRBQGUKRGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-6-13-12(8-10(2)3)11-5-7-14-9-11/h5,7,9,12-13H,2,4,6,8H2,1,3H3.
What are the key properties of 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine?
3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-thiophen-3-ylbut-3-en-1-amine is sourced from PubChem (CID 79179129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).