N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine

C15H18N2S2 — CID 133368861

IUPACN-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
SMILESCc1cccc2c(NCC3CSCCS3)ccnc12
InChIInChI=1S/C15H18N2S2/c1-11-3-2-4-13-14(5-6-16-15(11)13)17-9-12-10-18-7-8-19-12/h2-6,12H,7-10H2,1H3,(H,16,17)
InChIKeyVBTXKPMFRRHBND-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.80
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine

N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine (PubChem CID 133368861) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
PubChem CID133368861
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC NameN-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine
SMILESCc1cccc2c(NCC3CSCCS3)ccnc12
InChIInChI=1S/C15H18N2S2/c1-11-3-2-4-13-14(5-6-16-15(11)13)17-9-12-10-18-7-8-19-12/h2-6,12H,7-10H2,1H3,(H,16,17)
InChIKeyVBTXKPMFRRHBND-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-(thiolan-2-ylmethyl)quinolin-4-amine
CID 133368980
8-methyl-N-(thian-3-yl)quinolin-4-amine
CID 133368635
8-nitro-N-(thian-2-ylmethyl)quinolin-4-amine
CID 83067049
2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116797435
N-(1,4-dithian-2-ylmethyl)-5-nitroquinolin-6-amine
CID 115685346
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
CID 103757201
N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
CID 115689494
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 102625824
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine (CID 133368861) is N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine is Cc1cccc2c(NCC3CSCCS3)ccnc12.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine?
The InChIKey is VBTXKPMFRRHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-11-3-2-4-13-14(5-6-16-15(11)13)17-9-12-10-18-7-8-19-12/h2-6,12H,7-10H2,1H3,(H,16,17).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine?
N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine has a molecular weight of 290.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-8-methylquinolin-4-amine is sourced from PubChem (CID 133368861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).