N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine

C13H21NOS — CID 115840777

IUPACN-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)C1CCC(C)O1
InChIInChI=1S/C13H21NOS/c1-3-14-12(9-11-5-4-8-16-11)13-7-6-10(2)15-13/h4-5,8,10,12-14H,3,6-7,9H2,1-2H3
InChIKeySNDUMJBYJHVKKI-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.84
Rot. Bonds5

About N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine

N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 115840777) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine
PubChem CID115840777
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)C1CCC(C)O1
InChIInChI=1S/C13H21NOS/c1-3-14-12(9-11-5-4-8-16-11)13-7-6-10(2)15-13/h4-5,8,10,12-14H,3,6-7,9H2,1-2H3
InChIKeySNDUMJBYJHVKKI-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179496
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
N-ethyl-1-(2-ethylcyclohexyl)-2-thiophen-2-ylethanamine
CID 63861481
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 65389654
2-(2,4-dichlorophenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115840073
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-2-yl)ethanamine
CID 106866357
2-(5-methyloxolan-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 82838185
N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
CID 79657789
N-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-thiophen-2-ylethanamine
CID 79914388
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
N-[1-(3-methylcyclopentyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412770
N-ethyl-3-methyl-1-(5-methyloxolan-2-yl)pentan-1-amine
CID 115846266

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine (CID 115840777) is N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)C1CCC(C)O1.
What is the InChIKey of N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is SNDUMJBYJHVKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-14-12(9-11-5-4-8-16-11)13-7-6-10(2)15-13/h4-5,8,10,12-14H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine?
N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyloxolan-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 115840777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).