N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine

C11H19NS — CID 83831442

IUPACN,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine
SMILESCNCC(c1ccc(C)s1)C(C)C
InChIInChI=1S/C11H19NS/c1-8(2)10(7-12-4)11-6-5-9(3)13-11/h5-6,8,10,12H,7H2,1-4H3
InChIKeyMWZKHSYDEYUXLA-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.02
Rot. Bonds4

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

N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine (PubChem CID 83831442) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine
PubChem CID83831442
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine
SMILESCNCC(c1ccc(C)s1)C(C)C
InChIInChI=1S/C11H19NS/c1-8(2)10(7-12-4)11-6-5-9(3)13-11/h5-6,8,10,12H,7H2,1-4H3
InChIKeyMWZKHSYDEYUXLA-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480389
2-cyclopropyl-N-methyl-2-(5-methylthiophen-2-yl)ethanamine
CID 83831086
2-methyl-1-(5-methylthiophen-2-yl)propan-1-ol
CID 61099304
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 114874222
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine (CID 83831442) is N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine is CNCC(c1ccc(C)s1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine?
The InChIKey is MWZKHSYDEYUXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-8(2)10(7-12-4)11-6-5-9(3)13-11/h5-6,8,10,12H,7H2,1-4H3.
What are the key properties of N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine?
N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine has a molecular weight of 197.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine is sourced from PubChem (CID 83831442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).