N-(4-methylsulfanylbutyl)quinolin-6-amine

C14H18N2S — CID 103087988

IUPACN-(4-methylsulfanylbutyl)quinolin-6-amine
SMILESCSCCCCNc1ccc2ncccc2c1
InChIInChI=1S/C14H18N2S/c1-17-10-3-2-8-15-13-6-7-14-12(11-13)5-4-9-16-14/h4-7,9,11,15H,2-3,8,10H2,1H3
InChIKeyRUNSLWNWYNIKRE-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.79
Rot. Bonds6

About N-(4-methylsulfanylbutyl)quinolin-6-amine

N-(4-methylsulfanylbutyl)quinolin-6-amine (PubChem CID 103087988) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)quinolin-6-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)quinolin-6-amine
PubChem CID103087988
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(4-methylsulfanylbutyl)quinolin-6-amine
SMILESCSCCCCNc1ccc2ncccc2c1
InChIInChI=1S/C14H18N2S/c1-17-10-3-2-8-15-13-6-7-14-12(11-13)5-4-9-16-14/h4-7,9,11,15H,2-3,8,10H2,1H3
InChIKeyRUNSLWNWYNIKRE-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
N-(3-methylsulfanylpropyl)quinolin-3-amine
CID 43691135
N-(3,3-dimethylbutyl)quinolin-6-amine
CID 62950963
methyl 4-(quinolin-6-ylamino)butanoate
CID 82539291
N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine
CID 114270158
2-methylsulfanyl-N-(4-methylsulfanylbutyl)-1,3-benzothiazol-6-amine
CID 103087444
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
3-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087126
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469
3-bromo-4-fluoro-N-(4-methylsulfanylbutyl)aniline
CID 103088379
N-[3-(3-methylphenyl)butyl]quinolin-6-amine
CID 135134064

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)quinolin-6-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)quinolin-6-amine (CID 103087988) is N-(4-methylsulfanylbutyl)quinolin-6-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)quinolin-6-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)quinolin-6-amine is CSCCCCNc1ccc2ncccc2c1.
What is the InChIKey of N-(4-methylsulfanylbutyl)quinolin-6-amine?
The InChIKey is RUNSLWNWYNIKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-17-10-3-2-8-15-13-6-7-14-12(11-13)5-4-9-16-14/h4-7,9,11,15H,2-3,8,10H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)quinolin-6-amine?
N-(4-methylsulfanylbutyl)quinolin-6-amine has a molecular weight of 246.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)quinolin-6-amine is sourced from PubChem (CID 103087988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).