2-(2,3-dihydrothiophen-2-yl)propan-2-amine

C7H13NS — CID 89098965

IUPAC2-(2,3-dihydrothiophen-2-yl)propan-2-amine
SMILESCC(C)(N)C1CC=CS1
InChIInChI=1S/C7H13NS/c1-7(2,8)6-4-3-5-9-6/h3,5-6H,4,8H2,1-2H3
InChIKeyXWJUEJUTBPEHEC-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.74
Rot. Bonds1

About 2-(2,3-dihydrothiophen-2-yl)propan-2-amine

2-(2,3-dihydrothiophen-2-yl)propan-2-amine (PubChem CID 89098965) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)propan-2-amine
PubChem CID89098965
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-(2,3-dihydrothiophen-2-yl)propan-2-amine
SMILESCC(C)(N)C1CC=CS1
InChIInChI=1S/C7H13NS/c1-7(2,8)6-4-3-5-9-6/h3,5-6H,4,8H2,1-2H3
InChIKeyXWJUEJUTBPEHEC-UHFFFAOYSA-N
XLogP1.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3H-thiophen-2-amine
CID 19777369
5-(2,3-Dihydrothiophen-3-yl)-2-methylpentan-2-amine
CID 89119207
5-(2,3-Dihydrothiophen-2-yl)-2-methylpentan-2-amine
CID 89119209
1-(2,3-Dihydrothiophen-2-yl)cyclopropan-1-amine
CID 129056511
2,3-dimethyl-2H-thiophen-3-amine
CID 135237327
2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine;propane
CID 144892360
3-ethyl-2H-thiophen-3-amine
CID 154557002
1-(2,3-Dihydrothiophen-2-yl)-2-methylpropan-2-amine
CID 163776274
2-methyl-4-[(Z)-prop-1-enyl]sulfanylpent-4-en-2-amine
CID 144892361

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-2-yl)propan-2-amine?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)propan-2-amine (CID 89098965) is 2-(2,3-dihydrothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)propan-2-amine?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)propan-2-amine is CC(C)(N)C1CC=CS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)propan-2-amine?
The InChIKey is XWJUEJUTBPEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(2,8)6-4-3-5-9-6/h3,5-6H,4,8H2,1-2H3.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)propan-2-amine?
2-(2,3-dihydrothiophen-2-yl)propan-2-amine has a molecular weight of 143.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 89098965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).