3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine

C15H25N3S2 — CID 103346270

IUPAC3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine
SMILESCCNC(c1cc(C)cnc1N)C1CSC(C)C(C)S1
InChIInChI=1S/C15H25N3S2/c1-5-17-14(12-6-9(2)7-18-15(12)16)13-8-19-10(3)11(4)20-13/h6-7,10-11,13-14,17H,5,8H2,1-4H3,(H2,16,18)
InChIKeySRZPDIKMRIIOCU-UHFFFAOYSA-N
MW311.52 g/mol
LogP3.25
Rot. Bonds4

About 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine

3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine (PubChem CID 103346270) has the molecular formula C15H25N3S2 and a molecular weight of 311.52 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine
PubChem CID103346270
Molecular FormulaC15H25N3S2
Molecular Weight311.52 g/mol
Exact Mass311.15
IUPAC Name3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine
SMILESCCNC(c1cc(C)cnc1N)C1CSC(C)C(C)S1
InChIInChI=1S/C15H25N3S2/c1-5-17-14(12-6-9(2)7-18-15(12)16)13-8-19-10(3)11(4)20-13/h6-7,10-11,13-14,17H,5,8H2,1-4H3,(H2,16,18)
InChIKeySRZPDIKMRIIOCU-UHFFFAOYSA-N
XLogP3.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)-pyridin-3-ylmethyl]ethanamine
CID 103346089
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103346428
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 103346326
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395932
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(4-fluorophenyl)methyl]ethanamine
CID 103346193
N-[(4-chloro-1-methylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346233
N-[(4-bromo-1-methylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346236
3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine
CID 80610949
N-[2,3-dihydro-1-benzofuran-7-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346208
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 103346121
3-[1-(ethylamino)-2,2-dimethoxyethyl]-5-methylpyridin-2-amine
CID 79493469

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine (CID 103346270) is 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine is CCNC(c1cc(C)cnc1N)C1CSC(C)C(C)S1.
What is the InChIKey of 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine?
The InChIKey is SRZPDIKMRIIOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S2/c1-5-17-14(12-6-9(2)7-18-15(12)16)13-8-19-10(3)11(4)20-13/h6-7,10-11,13-14,17H,5,8H2,1-4H3,(H2,16,18).
What are the key properties of 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine?
3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine has a molecular weight of 311.52 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,4-dithian-2-yl)-(ethylamino)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 103346270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).