4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine

C11H17NS — CID 114475513

IUPAC4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(N)c1cscc1C
InChIInChI=1S/C11H17NS/c1-8(2)4-5-11(12)10-7-13-6-9(10)3/h6-7,11H,1,4-5,12H2,2-3H3
InChIKeyHNKRFWKCXKUQDQ-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.41
Rot. Bonds4

About 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine

4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine (PubChem CID 114475513) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine
PubChem CID114475513
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(N)c1cscc1C
InChIInChI=1S/C11H17NS/c1-8(2)4-5-11(12)10-7-13-6-9(10)3/h6-7,11H,1,4-5,12H2,2-3H3
InChIKeyHNKRFWKCXKUQDQ-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.41
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-amino-2-(4-methylthiophen-3-yl)ethanol
CID 84763905
1-(2,4-difluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039225
1-(4-methylthiophen-3-yl)hex-4-yn-1-amine
CID 104806929
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629
4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039765
1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine
CID 114475839
1-(4-chloro-2-fluorophenyl)-4-methylpent-4-en-1-amine
CID 114474679
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
1-(3-fluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 114475629
1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine
CID 114474387
2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79803199
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
CID 114475564

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine?
The IUPAC name of 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine (CID 114475513) is 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine.
What is the SMILES notation for 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine?
The canonical SMILES for 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine is C=C(C)CCC(N)c1cscc1C.
What is the InChIKey of 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine?
The InChIKey is HNKRFWKCXKUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8(2)4-5-11(12)10-7-13-6-9(10)3/h6-7,11H,1,4-5,12H2,2-3H3.
What are the key properties of 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine?
4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine has a molecular weight of 195.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 114475513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).