N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine

C13H27NOS2 — CID 113299761

IUPACN-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
SMILESCCCNC(COCC)C1SCCSC1CC
InChIInChI=1S/C13H27NOS2/c1-4-7-14-11(10-15-6-3)13-12(5-2)16-8-9-17-13/h11-14H,4-10H2,1-3H3
InChIKeyQQBMAPWFRIPXEI-UHFFFAOYSA-N
MW277.50 g/mol
LogP3.02
Rot. Bonds8

About N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine

N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine (PubChem CID 113299761) has the molecular formula C13H27NOS2 and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
PubChem CID113299761
Molecular FormulaC13H27NOS2
Molecular Weight277.50 g/mol
Exact Mass277.15
IUPAC NameN-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
SMILESCCCNC(COCC)C1SCCSC1CC
InChIInChI=1S/C13H27NOS2/c1-4-7-14-11(10-15-6-3)13-12(5-2)16-8-9-17-13/h11-14H,4-10H2,1-3H3
InChIKeyQQBMAPWFRIPXEI-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1,4-dithian-2-yl)-N-propylheptan-1-amine
CID 115388185
1-(3-ethyl-1,4-dithian-2-yl)-4-methoxy-N-propylbutan-1-amine
CID 114856771
1-(3-ethyl-1,4-dithian-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517599
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 115388154
1-(3-ethyl-1,4-dithian-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 115388166
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115388237
3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 115388222
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
N-[(3,5-difluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 115388261
1-(3-ethyl-1,4-dithian-2-yl)-N-methyloctan-1-amine
CID 115387777
1-(3-ethyl-1,4-dithian-2-yl)nonylhydrazine
CID 105259853
1-(3-ethyl-1,4-dithian-2-yl)-N-methylbut-3-yn-1-amine
CID 115387903

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine (CID 113299761) is N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine is CCCNC(COCC)C1SCCSC1CC.
What is the InChIKey of N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine?
The InChIKey is QQBMAPWFRIPXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS2/c1-4-7-14-11(10-15-6-3)13-12(5-2)16-8-9-17-13/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine?
N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 113299761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).