N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine

C15H25NOS — CID 62600752

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(Cc1ccc(CC)s1)CC1CCCO1
InChIInChI=1S/C15H25NOS/c1-3-14-7-8-15(18-14)11-12(16-4-2)10-13-6-5-9-17-13/h7-8,12-13,16H,3-6,9-11H2,1-2H3
InChIKeyVMOIUUNUYXGNGI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.40
Rot. Bonds7

About N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine

N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine (PubChem CID 62600752) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
PubChem CID62600752
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(Cc1ccc(CC)s1)CC1CCCO1
InChIInChI=1S/C15H25NOS/c1-3-14-7-8-15(18-14)11-12(16-4-2)10-13-6-5-9-17-13/h7-8,12-13,16H,3-6,9-11H2,1-2H3
InChIKeyVMOIUUNUYXGNGI-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 114931834
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 63737763
1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanol
CID 65149785
1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
N-ethyl-5-methoxy-1-(oxolan-2-yl)pentan-2-amine
CID 62602456

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine (CID 62600752) is N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine is CCNC(Cc1ccc(CC)s1)CC1CCCO1.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is VMOIUUNUYXGNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-14-7-8-15(18-14)11-12(16-4-2)10-13-6-5-9-17-13/h7-8,12-13,16H,3-6,9-11H2,1-2H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine?
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 62600752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).