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

C16H26N2S2 — CID 115388154

IUPACN-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)C1SCCSC1CC
InChIInChI=1S/C16H26N2S2/c1-3-8-18-14(12-13-7-5-6-9-17-13)16-15(4-2)19-10-11-20-16/h5-7,9,14-16,18H,3-4,8,10-12H2,1-2H3
InChIKeyOPRMKQVDFIEMDN-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.62
Rot. Bonds7

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

N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine (PubChem CID 115388154) has the molecular formula C16H26N2S2 and a molecular weight of 310.53 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
PubChem CID115388154
Molecular FormulaC16H26N2S2
Molecular Weight310.53 g/mol
Exact Mass310.15
IUPAC NameN-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)C1SCCSC1CC
InChIInChI=1S/C16H26N2S2/c1-3-8-18-14(12-13-7-5-6-9-17-13)16-15(4-2)19-10-11-20-16/h5-7,9,14-16,18H,3-4,8,10-12H2,1-2H3
InChIKeyOPRMKQVDFIEMDN-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethanamine
CID 115387062
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115388237
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 115388222
[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105259452
3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine
CID 115388238
N-[2-pyridin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 114622871
1-(3-ethyl-1,4-dithian-2-yl)-N-propylheptan-1-amine
CID 115388185
N-[2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 113299761
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
3-methyl-N-propyl-1-pyridin-2-ylbutan-2-amine
CID 60820074
N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115388266

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine (CID 115388154) is N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1ccccn1)C1SCCSC1CC.
What is the InChIKey of N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is OPRMKQVDFIEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S2/c1-3-8-18-14(12-13-7-5-6-9-17-13)16-15(4-2)19-10-11-20-16/h5-7,9,14-16,18H,3-4,8,10-12H2,1-2H3.
What are the key properties of N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine?
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 310.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 115388154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).