2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine

C8H15NS — CID 123459159

IUPAC2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine
SMILESCCC1CC=C(N(C)C)S1
InChIInChI=1S/C8H15NS/c1-4-7-5-6-8(10-7)9(2)3/h6-7H,4-5H2,1-3H3
InChIKeyWKVWHLNITMOCHP-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.30
Rot. Bonds2

About 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine

2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine (PubChem CID 123459159) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine.

Molecular Properties

Compound Name2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine
PubChem CID123459159
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine
SMILESCCC1CC=C(N(C)C)S1
InChIInChI=1S/C8H15NS/c1-4-7-5-6-8(10-7)9(2)3/h6-7H,4-5H2,1-3H3
InChIKeyWKVWHLNITMOCHP-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
CID 134923118
(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
CID 134923136
(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
CID 134923273
N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine
CID 142050819
5-butyl-3-methyl-2H-1,3-thiazole
CID 174336645

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine?
The IUPAC name of 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine (CID 123459159) is 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine.
What is the SMILES notation for 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine?
The canonical SMILES for 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine is CCC1CC=C(N(C)C)S1.
What is the InChIKey of 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine?
The InChIKey is WKVWHLNITMOCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-7-5-6-8(10-7)9(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine?
2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine has a molecular weight of 157.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine is sourced from PubChem (CID 123459159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).