2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine

C14H18N2S — CID 66222730

IUPAC2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCc1ccc2ncccc2c1
InChIInChI=1S/C14H18N2S/c1-14(2,15)10-17-9-11-5-6-13-12(8-11)4-3-7-16-13/h3-8H,9-10,15H2,1-2H3
InChIKeyPIYAVDSHBJINAN-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.21
Rot. Bonds4

About 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine

2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine (PubChem CID 66222730) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
PubChem CID66222730
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCc1ccc2ncccc2c1
InChIInChI=1S/C14H18N2S/c1-14(2,15)10-17-9-11-5-6-13-12(8-11)4-3-7-16-13/h3-8H,9-10,15H2,1-2H3
InChIKeyPIYAVDSHBJINAN-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(quinolin-6-ylmethylsulfanyl)propan-1-ol
CID 66105584
6-(2-methoxyethylsulfanylmethyl)quinoline
CID 136532204
3,3-dimethyl-4-quinolin-6-ylbutan-1-amine
CID 116997321
(2R)-2-azaniumyl-3-(quinolin-6-ylmethylsulfanyl)propanoate
CID 28776480
2-methyl-N-(2-quinolin-6-ylethyl)propan-2-amine
CID 62549001
4-methyl-2-(quinolin-6-ylmethylsulfanyl)aniline
CID 79142489
3-(quinolin-6-ylmethoxymethyl)pentan-3-amine
CID 64571432
3,5-difluoro-4-(quinolin-6-ylmethylsulfanyl)aniline
CID 61359856
4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
CID 43300080
2,3-dimethyl-3-(quinolin-6-ylmethylamino)butan-2-ol
CID 104881406
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
6-(2-chloroethyl)quinoline
CID 53404433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine (CID 66222730) is 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine is CC(C)(N)CSCc1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine?
The InChIKey is PIYAVDSHBJINAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-14(2,15)10-17-9-11-5-6-13-12(8-11)4-3-7-16-13/h3-8H,9-10,15H2,1-2H3.
What are the key properties of 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine?
2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(quinolin-6-ylmethylsulfanyl)propan-2-amine is sourced from PubChem (CID 66222730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).