N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine

C15H25NOS — CID 113391592

IUPACN-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)CC1CCCCO1
InChIInChI=1S/C15H25NOS/c1-2-16-13(8-9-15-7-5-11-18-15)12-14-6-3-4-10-17-14/h5,7,11,13-14,16H,2-4,6,8-10,12H2,1H3
InChIKeyNKQGHSKHFSWTQN-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.62
Rot. Bonds7

About N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine

N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine (PubChem CID 113391592) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
PubChem CID113391592
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)CC1CCCCO1
InChIInChI=1S/C15H25NOS/c1-2-16-13(8-9-15-7-5-11-18-15)12-14-6-3-4-10-17-14/h5,7,11,13-14,16H,2-4,6,8-10,12H2,1H3
InChIKeyNKQGHSKHFSWTQN-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-yl]hydrazine
CID 105198543
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 63774614
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105138838
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428
N-ethyl-1-(5-ethylthiophen-2-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62600752
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833759
N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
CID 115856805
N-ethyl-5-methoxy-1-(oxan-2-yl)pentan-2-amine
CID 114856946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine (CID 113391592) is N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine is CCNC(CCc1cccs1)CC1CCCCO1.
What is the InChIKey of N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine?
The InChIKey is NKQGHSKHFSWTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-2-16-13(8-9-15-7-5-11-18-15)12-14-6-3-4-10-17-14/h5,7,11,13-14,16H,2-4,6,8-10,12H2,1H3.
What are the key properties of N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine?
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 113391592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).