3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine

C12H19NS — CID 104578036

IUPAC3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
SMILESCCC(NCC=C(C)C)c1cccs1
InChIInChI=1S/C12H19NS/c1-4-11(12-6-5-9-14-12)13-8-7-10(2)3/h5-7,9,11,13H,4,8H2,1-3H3
InChIKeyBDVAYWDRSVSCPL-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.76
Rot. Bonds5

About 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine

3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine (PubChem CID 104578036) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
PubChem CID104578036
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
SMILESCCC(NCC=C(C)C)c1cccs1
InChIInChI=1S/C12H19NS/c1-4-11(12-6-5-9-14-12)13-8-7-10(2)3/h5-7,9,11,13H,4,8H2,1-3H3
InChIKeyBDVAYWDRSVSCPL-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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

2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine
CID 79167926
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823
N-[1-(3-bromophenyl)propyl]-3-methylbut-2-en-1-amine
CID 106180252
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine (CID 104578036) is 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine is CCC(NCC=C(C)C)c1cccs1.
What is the InChIKey of 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine?
The InChIKey is BDVAYWDRSVSCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-11(12-6-5-9-14-12)13-8-7-10(2)3/h5-7,9,11,13H,4,8H2,1-3H3.
What are the key properties of 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine?
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine is sourced from PubChem (CID 104578036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).