1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine

C13H20N2S2 — CID 104736697

IUPAC1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine
SMILESCCC1SCCSC1C(N)Cc1cccnc1
InChIInChI=1S/C13H20N2S2/c1-2-12-13(17-7-6-16-12)11(14)8-10-4-3-5-15-9-10/h3-5,9,11-13H,2,6-8,14H2,1H3
InChIKeyAIQNQEALFOSKAA-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine

1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine (PubChem CID 104736697) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine
PubChem CID104736697
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC Name1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine
SMILESCCC1SCCSC1C(N)Cc1cccnc1
InChIInChI=1S/C13H20N2S2/c1-2-12-13(17-7-6-16-12)11(14)8-10-4-3-5-15-9-10/h3-5,9,11-13H,2,6-8,14H2,1H3
InChIKeyAIQNQEALFOSKAA-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
1-pyridin-3-yl-3-(thian-4-yl)propan-2-amine
CID 105179945
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115388266
1-(2-methylthiolan-2-yl)-2-pyridin-3-ylethanamine
CID 105179943
2-pyridin-3-yl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 104736415
1-piperidin-3-yl-2-pyridin-3-ylethanamine
CID 82396184
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine?
The IUPAC name of 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine (CID 104736697) is 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine?
The canonical SMILES for 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine is CCC1SCCSC1C(N)Cc1cccnc1.
What is the InChIKey of 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine?
The InChIKey is AIQNQEALFOSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-2-12-13(17-7-6-16-12)11(14)8-10-4-3-5-15-9-10/h3-5,9,11-13H,2,6-8,14H2,1H3.
What are the key properties of 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine?
1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine has a molecular weight of 268.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 104736697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).