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

C14H23N3S — CID 65144630

IUPAC3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(CSC1CCCCC1)c1cccnc1N
InChIInChI=1S/C14H23N3S/c1-16-13(12-8-5-9-17-14(12)15)10-18-11-6-3-2-4-7-11/h5,8-9,11,13,16H,2-4,6-7,10H2,1H3,(H2,15,17)
InChIKeyXSNSKKDVACLYTF-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.99
Rot. Bonds5

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

3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine (PubChem CID 65144630) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
PubChem CID65144630
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(CSC1CCCCC1)c1cccnc1N
InChIInChI=1S/C14H23N3S/c1-16-13(12-8-5-9-17-14(12)15)10-18-11-6-3-2-4-7-11/h5,8-9,11,13,16H,2-4,6-7,10H2,1H3,(H2,15,17)
InChIKeyXSNSKKDVACLYTF-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 65144541
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
CID 65138823
2-cyclohexylsulfanyl-N-methyl-1-quinolin-7-ylethanamine
CID 81228669
2-cyclohexylsulfanyl-1-isoquinolin-5-yl-N-methylethanamine
CID 65139457
3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
CID 65128801
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745490
3-(cyclopentylsulfanylmethyl)pyridin-2-amine
CID 63115867
3-[4,4,4-trifluoro-1-(methylamino)butyl]pyridin-2-amine
CID 79954451
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
2-cyclohexylsulfanyl-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103130917
2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 65138669
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine (CID 65144630) is 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine is CNC(CSC1CCCCC1)c1cccnc1N.
What is the InChIKey of 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is XSNSKKDVACLYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-16-13(12-8-5-9-17-14(12)15)10-18-11-6-3-2-4-7-11/h5,8-9,11,13,16H,2-4,6-7,10H2,1H3,(H2,15,17).
What are the key properties of 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine?
3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 265.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexylsulfanyl-1-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 65144630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).