4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine

C12H19NS — CID 79591333

IUPAC4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine
SMILESCc1cc(C=CCCNC(C)C)cs1
InChIInChI=1S/C12H19NS/c1-10(2)13-7-5-4-6-12-8-11(3)14-9-12/h4,6,8-10,13H,5,7H2,1-3H3
InChIKeyXHFDPCZKVXBWEL-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.46
Rot. Bonds5

About 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine

4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine (PubChem CID 79591333) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine
PubChem CID79591333
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine
SMILESCc1cc(C=CCCNC(C)C)cs1
InChIInChI=1S/C12H19NS/c1-10(2)13-7-5-4-6-12-8-11(3)14-9-12/h4,6,8-10,13H,5,7H2,1-3H3
InChIKeyXHFDPCZKVXBWEL-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

N-ethyl-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79590562
4-(3,5-dimethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79591077
4-(4-bromobut-1-enyl)-2-methylthiophene
CID 79603021
N-(2-methoxyethyl)-4-(5-methylthiophen-3-yl)but-3-en-1-amine
CID 79598549
4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79592990
N-[3-(5-methylthiophen-3-yl)prop-2-enyl]acetamide
CID 169464817
4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598273
4-(furan-2-yl)-N-propan-2-ylbut-3-en-1-amine
CID 79590846
4-[4-(methylamino)but-1-enyl]thiophene-2-carboxylic acid
CID 170495337
3-(5-methylthiophen-3-yl)prop-2-enenitrile
CID 169482992
N-[4-(5-acetylthiophen-3-yl)but-3-enyl]acetamide
CID 170488258
(5-methylthiophen-3-yl)methylidenetitanium
CID 19351912

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine (CID 79591333) is 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine is Cc1cc(C=CCCNC(C)C)cs1.
What is the InChIKey of 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is XHFDPCZKVXBWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-10(2)13-7-5-4-6-12-8-11(3)14-9-12/h4,6,8-10,13H,5,7H2,1-3H3.
What are the key properties of 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine?
4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-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 4-(5-methylthiophen-3-yl)-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 79591333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).