3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine

C17H29N3S — CID 65144255

IUPAC3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
SMILESCCCNC(CSC1CCCCC1)c1cc(C)cnc1N
InChIInChI=1S/C17H29N3S/c1-3-9-19-16(12-21-14-7-5-4-6-8-14)15-10-13(2)11-20-17(15)18/h10-11,14,16,19H,3-9,12H2,1-2H3,(H2,18,20)
InChIKeyMLYQIJUKGRXWFL-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.08
Rot. Bonds7

About 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine

3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine (PubChem CID 65144255) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
PubChem CID65144255
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine
SMILESCCCNC(CSC1CCCCC1)c1cc(C)cnc1N
InChIInChI=1S/C17H29N3S/c1-3-9-19-16(12-21-14-7-5-4-6-8-14)15-10-13(2)11-20-17(15)18/h10-11,14,16,19H,3-9,12H2,1-2H3,(H2,18,20)
InChIKeyMLYQIJUKGRXWFL-UHFFFAOYSA-N
XLogP4.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine
CID 80610949
3-(1-amino-2-cyclopentylsulfanylethyl)-5-methylpyridin-2-amine
CID 65138767
N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 65144498
3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 65144541
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
N-[2-cyclohexylsulfanyl-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107128784
N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 65144595
3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 79495031
N-[2-cyclopentylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 65140573
3-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-5-methylpyridin-2-amine
CID 114016560
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine (CID 65144255) is 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine is CCCNC(CSC1CCCCC1)c1cc(C)cnc1N.
What is the InChIKey of 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine?
The InChIKey is MLYQIJUKGRXWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-3-9-19-16(12-21-14-7-5-4-6-8-14)15-10-13(2)11-20-17(15)18/h10-11,14,16,19H,3-9,12H2,1-2H3,(H2,18,20).
What are the key properties of 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine?
3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine has a molecular weight of 307.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexylsulfanyl-1-(propylamino)ethyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 65144255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).