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

C16H27N3S2 — CID 115388156

IUPAC4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1SCCSC1CC
InChIInChI=1S/C16H27N3S2/c1-3-6-18-13(10-12-5-7-19-15(17)11-12)16-14(4-2)20-8-9-21-16/h5,7,11,13-14,16,18H,3-4,6,8-10H2,1-2H3,(H2,17,19)
InChIKeyPNQRZLCTAFHJRD-UHFFFAOYSA-N
MW325.55 g/mol
LogP3.20
Rot. Bonds7

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

4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 115388156) has the molecular formula C16H27N3S2 and a molecular weight of 325.55 g/mol. Its IUPAC name is 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID115388156
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC Name4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1SCCSC1CC
InChIInChI=1S/C16H27N3S2/c1-3-6-18-13(10-12-5-7-19-15(17)11-12)16-14(4-2)20-8-9-21-16/h5,7,11,13-14,16,18H,3-4,6,8-10H2,1-2H3,(H2,17,19)
InChIKeyPNQRZLCTAFHJRD-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

3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 115388222
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 103346418
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 115388154
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
4-[2-hydrazinyl-2-(3-methyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 105259577
4-[2-(3-ethylcyclohexyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 65414759
4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115337065
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
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342
3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine
CID 115388238
4-(2-amino-4-pyridinyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093708

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine (CID 115388156) is 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1ccnc(N)c1)C1SCCSC1CC.
What is the InChIKey of 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is PNQRZLCTAFHJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-3-6-18-13(10-12-5-7-19-15(17)11-12)16-14(4-2)20-8-9-21-16/h5,7,11,13-14,16,18H,3-4,6,8-10H2,1-2H3,(H2,17,19).
What are the key properties of 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine?
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-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 4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 115388156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).