5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine

C13H21NS — CID 123273129

IUPAC5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
SMILESCSc1cc(C)cc(CCCC(C)N)c1
InChIInChI=1S/C13H21NS/c1-10-7-12(6-4-5-11(2)14)9-13(8-10)15-3/h7-9,11H,4-6,14H2,1-3H3
InChIKeyHHHLYQVDMZXYRJ-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.39
Rot. Bonds5

About 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine

5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine (PubChem CID 123273129) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
PubChem CID123273129
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
SMILESCSc1cc(C)cc(CCCC(C)N)c1
InChIInChI=1S/C13H21NS/c1-10-7-12(6-4-5-11(2)14)9-13(8-10)15-3/h7-9,11H,4-6,14H2,1-3H3
InChIKeyHHHLYQVDMZXYRJ-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine?
The IUPAC name of 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine (CID 123273129) is 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine.
What is the SMILES notation for 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine?
The canonical SMILES for 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine is CSc1cc(C)cc(CCCC(C)N)c1.
What is the InChIKey of 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine?
The InChIKey is HHHLYQVDMZXYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10-7-12(6-4-5-11(2)14)9-13(8-10)15-3/h7-9,11H,4-6,14H2,1-3H3.
What are the key properties of 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine?
5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine is sourced from PubChem (CID 123273129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).