N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine

C16H27NOS — CID 115856805

IUPACN-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
SMILESCCNC(CCc1ccsc1)CCC1CCCCO1
InChIInChI=1S/C16H27NOS/c1-2-17-15(7-6-14-10-12-19-13-14)8-9-16-5-3-4-11-18-16/h10,12-13,15-17H,2-9,11H2,1H3
InChIKeyZJBCMDICCQGSFS-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.01
Rot. Bonds8

About N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine

N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine (PubChem CID 115856805) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
PubChem CID115856805
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine
SMILESCCNC(CCc1ccsc1)CCC1CCCCO1
InChIInChI=1S/C16H27NOS/c1-2-17-15(7-6-14-10-12-19-13-14)8-9-16-5-3-4-11-18-16/h10,12-13,15-17H,2-9,11H2,1H3
InChIKeyZJBCMDICCQGSFS-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
1-cyclopentyl-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115856935
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530
N-ethyl-1-(oxolan-2-yl)-5-pyridin-2-ylpentan-3-amine
CID 105156934
N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 60976116
N-ethyl-1-pyridin-4-yl-5-thiophen-3-ylpentan-3-amine
CID 105147906
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine?
The IUPAC name of N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine (CID 115856805) is N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine.
What is the SMILES notation for N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine?
The canonical SMILES for N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine is CCNC(CCc1ccsc1)CCC1CCCCO1.
What is the InChIKey of N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine?
The InChIKey is ZJBCMDICCQGSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-2-17-15(7-6-14-10-12-19-13-14)8-9-16-5-3-4-11-18-16/h10,12-13,15-17H,2-9,11H2,1H3.
What are the key properties of N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine?
N-ethyl-1-(oxan-2-yl)-5-thiophen-3-ylpentan-3-amine has a molecular weight of 281.46 g/mol, XLogP of 4.01, 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-2-yl)-5-thiophen-3-ylpentan-3-amine is sourced from PubChem (CID 115856805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).