2-(5-methylthiophen-3-yl)butan-1-amine

C9H15NS — CID 82412623

IUPAC2-(5-methylthiophen-3-yl)butan-1-amine
SMILESCCC(CN)c1csc(C)c1
InChIInChI=1S/C9H15NS/c1-3-8(5-10)9-4-7(2)11-6-9/h4,6,8H,3,5,10H2,1-2H3
InChIKeySGRZUWWNFZCIRP-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.51
Rot. Bonds3

About 2-(5-methylthiophen-3-yl)butan-1-amine

2-(5-methylthiophen-3-yl)butan-1-amine (PubChem CID 82412623) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-(5-methylthiophen-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(5-methylthiophen-3-yl)butan-1-amine
PubChem CID82412623
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-(5-methylthiophen-3-yl)butan-1-amine
SMILESCCC(CN)c1csc(C)c1
InChIInChI=1S/C9H15NS/c1-3-8(5-10)9-4-7(2)11-6-9/h4,6,8H,3,5,10H2,1-2H3
InChIKeySGRZUWWNFZCIRP-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
2-(2,6-dimethyl-4-pyridinyl)butan-1-amine
CID 82409825
methyl 2-(5-methylthiophen-3-yl)butanoate
CID 65099260
2-bromo-4-pentan-3-ylthiophene
CID 82390180
3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol
CID 103459822
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
[1-(5-methylthiophen-3-yl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226242
[2,2-dimethyl-1-(5-methylthiophen-3-yl)butyl]hydrazine
CID 105313380
2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
CID 115807733
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890
(1R)-2,2,2-trifluoro-1-(5-methylthiophen-3-yl)ethanamine
CID 55274092
2-cyclopropyl-1-(5-methylthiophen-3-yl)ethanamine
CID 55294440

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-3-yl)butan-1-amine?
The IUPAC name of 2-(5-methylthiophen-3-yl)butan-1-amine (CID 82412623) is 2-(5-methylthiophen-3-yl)butan-1-amine.
What is the SMILES notation for 2-(5-methylthiophen-3-yl)butan-1-amine?
The canonical SMILES for 2-(5-methylthiophen-3-yl)butan-1-amine is CCC(CN)c1csc(C)c1.
What is the InChIKey of 2-(5-methylthiophen-3-yl)butan-1-amine?
The InChIKey is SGRZUWWNFZCIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-8(5-10)9-4-7(2)11-6-9/h4,6,8H,3,5,10H2,1-2H3.
What are the key properties of 2-(5-methylthiophen-3-yl)butan-1-amine?
2-(5-methylthiophen-3-yl)butan-1-amine has a molecular weight of 169.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-3-yl)butan-1-amine is sourced from PubChem (CID 82412623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).