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

C10H18ClNS — CID 19888647

IUPAC2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride
SMILESCC(C)c1csc(C(C)C)c1N.Cl
InChIInChI=1S/C10H17NS.ClH/c1-6(2)8-5-12-10(7(3)4)9(8)11;/h5-7H,11H2,1-4H3;1H
InChIKeyWHCDYYLFMUJFER-UHFFFAOYSA-N
MW219.78 g/mol
LogP4.00
Rot. Bonds2

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

2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride (PubChem CID 19888647) has the molecular formula C10H18ClNS and a molecular weight of 219.78 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride
PubChem CID19888647
Molecular FormulaC10H18ClNS
Molecular Weight219.78 g/mol
Exact Mass219.08
IUPAC Name2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride
SMILESCC(C)c1csc(C(C)C)c1N.Cl
InChIInChI=1S/C10H17NS.ClH/c1-6(2)8-5-12-10(7(3)4)9(8)11;/h5-7H,11H2,1-4H3;1H
InChIKeyWHCDYYLFMUJFER-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride?
The IUPAC name of 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride (CID 19888647) is 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride.
What is the SMILES notation for 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride?
The canonical SMILES for 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride is CC(C)c1csc(C(C)C)c1N.Cl.
What is the InChIKey of 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride?
The InChIKey is WHCDYYLFMUJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS.ClH/c1-6(2)8-5-12-10(7(3)4)9(8)11;/h5-7H,11H2,1-4H3;1H.
What are the key properties of 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride?
2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride has a molecular weight of 219.78 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)thiophen-3-amine;hydrochloride is sourced from PubChem (CID 19888647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).