4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine

C10H17NS — CID 115921898

IUPAC4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine
SMILESCc1cscc1NC(C)C(C)C
InChIInChI=1S/C10H17NS/c1-7(2)9(4)11-10-6-12-5-8(10)3/h5-7,9,11H,1-4H3
InChIKeySSVGFZIMXKGSRZ-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.51
Rot. Bonds3

About 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine

4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine (PubChem CID 115921898) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine
PubChem CID115921898
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine
SMILESCc1cscc1NC(C)C(C)C
InChIInChI=1S/C10H17NS/c1-7(2)9(4)11-10-6-12-5-8(10)3/h5-7,9,11H,1-4H3
InChIKeySSVGFZIMXKGSRZ-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine?
The IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine (CID 115921898) is 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine?
The canonical SMILES for 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine is Cc1cscc1NC(C)C(C)C.
What is the InChIKey of 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine?
The InChIKey is SSVGFZIMXKGSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-7(2)9(4)11-10-6-12-5-8(10)3/h5-7,9,11H,1-4H3.
What are the key properties of 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine?
4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine has a molecular weight of 183.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine is sourced from PubChem (CID 115921898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).