1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine

C9H17NS — CID 130868304

IUPAC1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine
SMILESCC1=CC(CC(C)N)C(C)S1
InChIInChI=1S/C9H17NS/c1-6(10)4-9-5-7(2)11-8(9)3/h5-6,8-9H,4,10H2,1-3H3
InChIKeyXWSWDOZJXANEPG-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.38
Rot. Bonds2

About 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine

1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine (PubChem CID 130868304) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine
PubChem CID130868304
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine
SMILESCC1=CC(CC(C)N)C(C)S1
InChIInChI=1S/C9H17NS/c1-6(10)4-9-5-7(2)11-8(9)3/h5-6,8-9H,4,10H2,1-3H3
InChIKeyXWSWDOZJXANEPG-UHFFFAOYSA-N
XLogP2.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine?
The IUPAC name of 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine (CID 130868304) is 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine?
The canonical SMILES for 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine is CC1=CC(CC(C)N)C(C)S1.
What is the InChIKey of 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine?
The InChIKey is XWSWDOZJXANEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-6(10)4-9-5-7(2)11-8(9)3/h5-6,8-9H,4,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine?
1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine has a molecular weight of 171.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)propan-2-amine is sourced from PubChem (CID 130868304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).