2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine

C15H20N2S — CID 63966499

IUPAC2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESCSCC(C)CNCc1ccc2ncccc2c1
InChIInChI=1S/C15H20N2S/c1-12(11-18-2)9-16-10-13-5-6-15-14(8-13)4-3-7-17-15/h3-8,12,16H,9-11H2,1-2H3
InChIKeyXPIRUZIMIPOQKP-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.32
Rot. Bonds6

About 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine

2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine (PubChem CID 63966499) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine
PubChem CID63966499
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine
SMILESCSCC(C)CNCc1ccc2ncccc2c1
InChIInChI=1S/C15H20N2S/c1-12(11-18-2)9-16-10-13-5-6-15-14(8-13)4-3-7-17-15/h3-8,12,16H,9-11H2,1-2H3
InChIKeyXPIRUZIMIPOQKP-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol
CID 66105584
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001
3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115639548
N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
CID 106415087
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
(1S)-1-(4-bromophenyl)-N-(quinolin-6-ylmethyl)ethanamine
CID 81356181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine (CID 63966499) is 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine is CSCC(C)CNCc1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine?
The InChIKey is XPIRUZIMIPOQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(11-18-2)9-16-10-13-5-6-15-14(8-13)4-3-7-17-15/h3-8,12,16H,9-11H2,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine?
2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 63966499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).