N-(3-methylsulfanylpropyl)quinolin-3-amine

C13H16N2S — CID 43691135

IUPACN-(3-methylsulfanylpropyl)quinolin-3-amine
SMILESCSCCCNc1cnc2ccccc2c1
InChIInChI=1S/C13H16N2S/c1-16-8-4-7-14-12-9-11-5-2-3-6-13(11)15-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3
InChIKeyZKMYGUAMHGSYKP-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.40
Rot. Bonds5

About N-(3-methylsulfanylpropyl)quinolin-3-amine

N-(3-methylsulfanylpropyl)quinolin-3-amine (PubChem CID 43691135) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)quinolin-3-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)quinolin-3-amine
PubChem CID43691135
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(3-methylsulfanylpropyl)quinolin-3-amine
SMILESCSCCCNc1cnc2ccccc2c1
InChIInChI=1S/C13H16N2S/c1-16-8-4-7-14-12-9-11-5-2-3-6-13(11)15-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3
InChIKeyZKMYGUAMHGSYKP-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.40
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-(4-methylsulfanylbutyl)quinolin-6-amine
CID 103087988
N-(3-methylbutyl)quinolin-3-amine
CID 43691203
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
2-(quinolin-3-ylamino)acetaldehyde
CID 119094980
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-quinolin-3-ylhydroxylamine
CID 54286324
4-methylsulfanyl-2-(propanoylamino)-N-quinolin-3-ylbutanamide
CID 60523118
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
CID 43691138
N-[1-(4-fluorophenyl)propyl]quinolin-3-amine
CID 43691286

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)quinolin-3-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)quinolin-3-amine (CID 43691135) is N-(3-methylsulfanylpropyl)quinolin-3-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)quinolin-3-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)quinolin-3-amine is CSCCCNc1cnc2ccccc2c1.
What is the InChIKey of N-(3-methylsulfanylpropyl)quinolin-3-amine?
The InChIKey is ZKMYGUAMHGSYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-16-8-4-7-14-12-9-11-5-2-3-6-13(11)15-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)quinolin-3-amine?
N-(3-methylsulfanylpropyl)quinolin-3-amine has a molecular weight of 232.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)quinolin-3-amine is sourced from PubChem (CID 43691135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).