3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine

C15H20N2S — CID 114221993

IUPAC3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine
SMILESCSCC(C)C(N)Cc1ccnc2ccccc12
InChIInChI=1S/C15H20N2S/c1-11(10-18-2)14(16)9-12-7-8-17-15-6-4-3-5-13(12)15/h3-8,11,14H,9-10,16H2,1-2H3
InChIKeyBVTXZJOQBLVRBE-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.10
Rot. Bonds5

About 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine

3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine (PubChem CID 114221993) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine
PubChem CID114221993
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine
SMILESCSCC(C)C(N)Cc1ccnc2ccccc12
InChIInChI=1S/C15H20N2S/c1-11(10-18-2)14(16)9-12-7-8-17-15-6-4-3-5-13(12)15/h3-8,11,14H,9-10,16H2,1-2H3
InChIKeyBVTXZJOQBLVRBE-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81015009
methyl 3-amino-2-methyl-4-quinolin-4-ylbutanoate
CID 171618052
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
4-(2-ethylbutyl)quinoline
CID 143495355
4-(2-chlorobutyl)quinoline
CID 63203241
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
(2S)-2-amino-3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 107773149
4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
CID 105159278
1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
(1-propan-2-yloxy-3-quinolin-4-ylpropan-2-yl)hydrazine
CID 105316331

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine?
The IUPAC name of 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine (CID 114221993) is 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine?
The canonical SMILES for 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine is CSCC(C)C(N)Cc1ccnc2ccccc12.
What is the InChIKey of 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine?
The InChIKey is BVTXZJOQBLVRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(10-18-2)14(16)9-12-7-8-17-15-6-4-3-5-13(12)15/h3-8,11,14H,9-10,16H2,1-2H3.
What are the key properties of 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine?
3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanyl-1-quinolin-4-ylbutan-2-amine is sourced from PubChem (CID 114221993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).