N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine

C16H27NOS — CID 105138838

IUPACN-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)CC1CCOCC1
InChIInChI=1S/C16H27NOS/c1-2-17-15(13-14-8-10-18-11-9-14)5-3-6-16-7-4-12-19-16/h4,7,12,14-15,17H,2-3,5-6,8-11,13H2,1H3
InChIKeyZOZVJQQACDTTBI-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.87
Rot. Bonds8

About N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine

N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 105138838) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
PubChem CID105138838
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine
SMILESCCNC(CCCc1cccs1)CC1CCOCC1
InChIInChI=1S/C16H27NOS/c1-2-17-15(13-14-8-10-18-11-9-14)5-3-6-16-7-4-12-19-16/h4,7,12,14-15,17H,2-3,5-6,8-11,13H2,1H3
InChIKeyZOZVJQQACDTTBI-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-N-propyl-5-thiophen-2-ylpentan-2-amine
CID 105138604
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
1-(oxan-4-yl)-4-thiophen-2-ylbutan-1-amine
CID 105147200
N-ethyl-1-ethylsulfonyl-7-thiophen-2-ylheptan-4-amine
CID 105152716
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
N-ethyl-2-methyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105163184
1-cyclopropyl-N-methyl-6-thiophen-2-ylhexan-3-amine
CID 105157838
1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150255
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine (CID 105138838) is N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine is CCNC(CCCc1cccs1)CC1CCOCC1.
What is the InChIKey of N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is ZOZVJQQACDTTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-2-17-15(13-14-8-10-18-11-9-14)5-3-6-16-7-4-12-19-16/h4,7,12,14-15,17H,2-3,5-6,8-11,13H2,1H3.
What are the key properties of N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine?
N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 281.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105138838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).