3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine

C16H27N3S2 — CID 115388222

IUPAC3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
SMILESCCCNC(Cc1cnccc1N)C1SCCSC1CC
InChIInChI=1S/C16H27N3S2/c1-3-6-19-14(10-12-11-18-7-5-13(12)17)16-15(4-2)20-8-9-21-16/h5,7,11,14-16,19H,3-4,6,8-10H2,1-2H3,(H2,17,18)
InChIKeyUWQWKGCPJLKZFI-UHFFFAOYSA-N
MW325.55 g/mol
LogP3.20
Rot. Bonds7

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

3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine (PubChem CID 115388222) has the molecular formula C16H27N3S2 and a molecular weight of 325.55 g/mol. Its IUPAC name is 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
PubChem CID115388222
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC Name3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
SMILESCCCNC(Cc1cnccc1N)C1SCCSC1CC
InChIInChI=1S/C16H27N3S2/c1-3-6-19-14(10-12-11-18-7-5-13(12)17)16-15(4-2)20-8-9-21-16/h5,7,11,14-16,19H,3-4,6,8-10H2,1-2H3,(H2,17,18)
InChIKeyUWQWKGCPJLKZFI-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
3-[2-(oxan-4-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 65334878
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 115388154
N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115388266
3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 65329161
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-(ethylamino)-2-(3-ethyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 115387989
3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 79662541
2-(4-amino-3-pyridinyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanone
CID 115385851
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
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387941

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine (CID 115388222) is 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine is CCCNC(Cc1cnccc1N)C1SCCSC1CC.
What is the InChIKey of 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine?
The InChIKey is UWQWKGCPJLKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-3-6-19-14(10-12-11-18-7-5-13(12)17)16-15(4-2)20-8-9-21-16/h5,7,11,14-16,19H,3-4,6,8-10H2,1-2H3,(H2,17,18).
What are the key properties of 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine?
3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine has a molecular weight of 325.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 115388222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).