4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride

C11H20ClNS — CID 155389075

IUPAC4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride
SMILESCc1c(C(C)C)sc(C(C)C)c1N.Cl
InChIInChI=1S/C11H19NS.ClH/c1-6(2)10-8(5)9(12)11(13-10)7(3)4;/h6-7H,12H2,1-5H3;1H
InChIKeyBAANMSLEYXJLBQ-UHFFFAOYSA-N
MW233.81 g/mol
LogP4.31
Rot. Bonds2

About 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride

4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride (PubChem CID 155389075) has the molecular formula C11H20ClNS and a molecular weight of 233.81 g/mol. Its IUPAC name is 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride
PubChem CID155389075
Molecular FormulaC11H20ClNS
Molecular Weight233.81 g/mol
Exact Mass233.10
IUPAC Name4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride
SMILESCc1c(C(C)C)sc(C(C)C)c1N.Cl
InChIInChI=1S/C11H19NS.ClH/c1-6(2)10-8(5)9(12)11(13-10)7(3)4;/h6-7H,12H2,1-5H3;1H
InChIKeyBAANMSLEYXJLBQ-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.81
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride?
The IUPAC name of 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride (CID 155389075) is 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride is Cc1c(C(C)C)sc(C(C)C)c1N.Cl.
What is the InChIKey of 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride?
The InChIKey is BAANMSLEYXJLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS.ClH/c1-6(2)10-8(5)9(12)11(13-10)7(3)4;/h6-7H,12H2,1-5H3;1H.
What are the key properties of 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride?
4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride has a molecular weight of 233.81 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-di(propan-2-yl)thiophen-3-amine;hydrochloride is sourced from PubChem (CID 155389075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).