2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine

C8H15NS — CID 170868968

IUPAC2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine
SMILESCC1=CC(CCN)C(C)S1
InChIInChI=1S/C8H15NS/c1-6-5-8(3-4-9)7(2)10-6/h5,7-8H,3-4,9H2,1-2H3
InChIKeyLGSULVQKGJDMAG-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.99
Rot. Bonds2

About 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine

2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine (PubChem CID 170868968) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine
PubChem CID170868968
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine
SMILESCC1=CC(CCN)C(C)S1
InChIInChI=1S/C8H15NS/c1-6-5-8(3-4-9)7(2)10-6/h5,7-8H,3-4,9H2,1-2H3
InChIKeyLGSULVQKGJDMAG-UHFFFAOYSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminotetrahydrobenzothiophene
CID 68564144
2,3,3a,7a-Tetrahydro-1-benzothiophen-2-amine
CID 53634287
4-Methyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 54462445
2-(2-methyl-3H-thiophen-2-yl)ethanamine
CID 68810050
2-(2-ethyl-3H-thiophen-2-yl)ethanamine
CID 68810150
2-[(Z)-2,7-dimethyloct-4-enyl]sulfanylethanamine
CID 89197336
(2,3-Dimethyl-2,3-dihydrothiophen-5-yl)methanamine
CID 89299200
(3-Ethyl-5-methyl-2,3-dihydrothiophen-2-yl)methanamine
CID 89785613
3-(5-Butylsulfanylcyclohexa-1,5-dien-1-yl)butan-1-amine
CID 91333753
[3-[Methyl(methylidene)-lambda4-sulfanyl]cyclopent-2-en-1-yl]methanamine
CID 123338138
(3R)-3-ethyl-4,5-dimethyl-2,3-dihydrothiophen-2-amine
CID 126702660
6-[(E)-4-methylpent-2-enyl]sulfanylhexan-1-amine
CID 138664888

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine (CID 170868968) is 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine is CC1=CC(CCN)C(C)S1.
What is the InChIKey of 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine?
The InChIKey is LGSULVQKGJDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-5-8(3-4-9)7(2)10-6/h5,7-8H,3-4,9H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine?
2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine has a molecular weight of 157.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-2,3-dihydrothiophen-3-yl)ethanamine is sourced from PubChem (CID 170868968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).