3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine

C17H22N2S — CID 63486932

IUPAC3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CSC1CCCCC1
InChIInChI=1S/C17H22N2S/c1-18-17-14(12-20-15-8-3-2-4-9-15)11-13-7-5-6-10-16(13)19-17/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,18,19)
InChIKeyHKLJPCSVVXCDFD-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.84
Rot. Bonds4

About 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine

3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine (PubChem CID 63486932) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine
PubChem CID63486932
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine
SMILESCNc1nc2ccccc2cc1CSC1CCCCC1
InChIInChI=1S/C17H22N2S/c1-18-17-14(12-20-15-8-3-2-4-9-15)11-13-7-5-6-10-16(13)19-17/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,18,19)
InChIKeyHKLJPCSVVXCDFD-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine?
The IUPAC name of 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine (CID 63486932) is 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine.
What is the SMILES notation for 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine?
The canonical SMILES for 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine is CNc1nc2ccccc2cc1CSC1CCCCC1.
What is the InChIKey of 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine?
The InChIKey is HKLJPCSVVXCDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-18-17-14(12-20-15-8-3-2-4-9-15)11-13-7-5-6-10-16(13)19-17/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,18,19).
What are the key properties of 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine?
3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine has a molecular weight of 286.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfanylmethyl)-N-methylquinolin-2-amine is sourced from PubChem (CID 63486932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).