N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine

C14H22N2S2 — CID 103346089

IUPACN-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)C1CSC(C)C(C)S1
InChIInChI=1S/C14H22N2S2/c1-4-16-14(12-6-5-7-15-8-12)13-9-17-10(2)11(3)18-13/h5-8,10-11,13-14,16H,4,9H2,1-3H3
InChIKeyDTUWGGCSRPLQMK-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.36
Rot. Bonds4

About N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine

N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 103346089) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID103346089
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC NameN-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)C1CSC(C)C(C)S1
InChIInChI=1S/C14H22N2S2/c1-4-16-14(12-6-5-7-15-8-12)13-9-17-10(2)11(3)18-13/h5-8,10-11,13-14,16H,4,9H2,1-3H3
InChIKeyDTUWGGCSRPLQMK-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5,6-dimethyl-1,4-dithian-2-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 103346172
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(4-fluorophenyl)methyl]ethanamine
CID 103346193
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[(3,5-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 64731500
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 103346121
2-(3-chloro-4-pyridinyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethylethanamine
CID 103346179
N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799190
N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612
N-[7-bicyclo[4.1.0]heptanyl(pyridin-3-yl)methyl]ethanamine
CID 115798984
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 103346374
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine (CID 103346089) is N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)C1CSC(C)C(C)S1.
What is the InChIKey of N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is DTUWGGCSRPLQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-4-16-14(12-6-5-7-15-8-12)13-9-17-10(2)11(3)18-13/h5-8,10-11,13-14,16H,4,9H2,1-3H3.
What are the key properties of N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 282.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1,4-dithian-2-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 103346089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).