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

C15H25N3S2 — CID 115388238

IUPAC3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine
SMILESCCCNC(c1cccnc1N)C1SCCSC1CC
InChIInChI=1S/C15H25N3S2/c1-3-7-17-13(11-6-5-8-18-15(11)16)14-12(4-2)19-9-10-20-14/h5-6,8,12-14,17H,3-4,7,9-10H2,1-2H3,(H2,16,18)
InChIKeyBULXJNYLICNSGX-UHFFFAOYSA-N
MW311.52 g/mol
LogP3.33
Rot. Bonds6

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

3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine (PubChem CID 115388238) has the molecular formula C15H25N3S2 and a molecular weight of 311.52 g/mol. Its IUPAC name is 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine
PubChem CID115388238
Molecular FormulaC15H25N3S2
Molecular Weight311.52 g/mol
Exact Mass311.15
IUPAC Name3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine
SMILESCCCNC(c1cccnc1N)C1SCCSC1CC
InChIInChI=1S/C15H25N3S2/c1-3-7-17-13(11-6-5-8-18-15(11)16)14-12(4-2)19-9-10-20-14/h5-6,8,12-14,17H,3-4,7,9-10H2,1-2H3,(H2,16,18)
InChIKeyBULXJNYLICNSGX-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(3-ethyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115388266
N-[(3-ethyl-1,4-dithian-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115388258
3-[2-(ethylamino)-2-(3-ethyl-1,4-dithian-2-yl)ethyl]pyridin-2-amine
CID 115387989
N-[(3-chlorothiophen-2-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 107360084
N-[1-(3-ethyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 115388154
N-[(3,5-difluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 115388261
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
N-[cycloocten-1-yl-(3-ethyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 106654173
3-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 115388222
[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
CID 105259841
1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092747
N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115388066

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine (CID 115388238) is 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine is CCCNC(c1cccnc1N)C1SCCSC1CC.
What is the InChIKey of 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine?
The InChIKey is BULXJNYLICNSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S2/c1-3-7-17-13(11-6-5-8-18-15(11)16)14-12(4-2)19-9-10-20-14/h5-6,8,12-14,17H,3-4,7,9-10H2,1-2H3,(H2,16,18).
What are the key properties of 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine?
3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine has a molecular weight of 311.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 115388238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).