8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine

C13H17N3S — CID 112656769

IUPAC8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
SMILESCSCCN(C)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H17N3S/c1-16(8-9-17-2)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7H,8-9,14H2,1-2H3
InChIKeyAZALXNFRTHPXSE-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.62
Rot. Bonds4

About 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine

8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine (PubChem CID 112656769) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
PubChem CID112656769
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine
SMILESCSCCN(C)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H17N3S/c1-16(8-9-17-2)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7H,8-9,14H2,1-2H3
InChIKeyAZALXNFRTHPXSE-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-N-methyl-8-N-(2-propan-2-yloxyethyl)quinoline-5,8-diamine
CID 81059066
5-[(5-aminoquinolin-8-yl)-methylamino]pentan-1-ol
CID 107197791
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
8-N-[(3-fluorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 43450087
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
2-N-methyl-2-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656826
2-[(5-aminoquinolin-8-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438533
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
4-[(5-aminoquinolin-8-yl)methyl-methylamino]phenol
CID 107733762
8-N-ethyl-8-N-(2-methylbutyl)quinoline-5,8-diamine
CID 79477632
8-[[methoxy(methyl)amino]methyl]quinolin-5-amine
CID 43627608

Frequently Asked Questions

What is the IUPAC name of 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine (CID 112656769) is 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine is CSCCN(C)c1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine?
The InChIKey is AZALXNFRTHPXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16(8-9-17-2)12-6-5-11(14)10-4-3-7-15-13(10)12/h3-7H,8-9,14H2,1-2H3.
What are the key properties of 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine?
8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine has a molecular weight of 247.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-methyl-8-N-(2-methylsulfanylethyl)quinoline-5,8-diamine is sourced from PubChem (CID 112656769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).