1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine

C10H19NS — CID 130217337

IUPAC1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(C)C1SC(C)=CC1C
InChIInChI=1S/C10H19NS/c1-5-11-9(4)10-7(2)6-8(3)12-10/h6-7,9-11H,5H2,1-4H3
InChIKeyDNNIDENIUZDRMN-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.64
Rot. Bonds3

About 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine

1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine (PubChem CID 130217337) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine
PubChem CID130217337
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(C)C1SC(C)=CC1C
InChIInChI=1S/C10H19NS/c1-5-11-9(4)10-7(2)6-8(3)12-10/h6-7,9-11H,5H2,1-4H3
InChIKeyDNNIDENIUZDRMN-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine (CID 130217337) is 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine is CCNC(C)C1SC(C)=CC1C.
What is the InChIKey of 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine?
The InChIKey is DNNIDENIUZDRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-11-9(4)10-7(2)6-8(3)12-10/h6-7,9-11H,5H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine?
1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine has a molecular weight of 185.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 130217337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).