3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine

C15H25N3S — CID 65144541

IUPAC3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(CSC1CCCCC1)c1cccnc1N
InChIInChI=1S/C15H25N3S/c1-2-17-14(13-9-6-10-18-15(13)16)11-19-12-7-4-3-5-8-12/h6,9-10,12,14,17H,2-5,7-8,11H2,1H3,(H2,16,18)
InChIKeyAJGXYEJOXXGIDH-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.38
Rot. Bonds6

About 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine

3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine (PubChem CID 65144541) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
PubChem CID65144541
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
SMILESCCNC(CSC1CCCCC1)c1cccnc1N
InChIInChI=1S/C15H25N3S/c1-2-17-14(13-9-6-10-18-15(13)16)11-19-12-7-4-3-5-8-12/h6,9-10,12,14,17H,2-5,7-8,11H2,1H3,(H2,16,18)
InChIKeyAJGXYEJOXXGIDH-UHFFFAOYSA-N
XLogP3.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
CID 65144630
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
3-[2-(2-chlorophenyl)sulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 66140580
3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 65144255
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292
2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine (CID 65144541) is 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine is CCNC(CSC1CCCCC1)c1cccnc1N.
What is the InChIKey of 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine?
The InChIKey is AJGXYEJOXXGIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-2-17-14(13-9-6-10-18-15(13)16)11-19-12-7-4-3-5-8-12/h6,9-10,12,14,17H,2-5,7-8,11H2,1H3,(H2,16,18).
What are the key properties of 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine?
3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine has a molecular weight of 279.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 65144541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).