2,4-dimethyl-2-methylsulfanylpentan-3-amine

C8H19NS — CID 14405832

IUPAC2,4-dimethyl-2-methylsulfanylpentan-3-amine
SMILESCSC(C)(C)C(N)C(C)C
InChIInChI=1S/C8H19NS/c1-6(2)7(9)8(3,4)10-5/h6-7H,9H2,1-5H3
InChIKeyAMWYLJCKMJDCFA-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.11
Rot. Bonds3

About 2,4-dimethyl-2-methylsulfanylpentan-3-amine

2,4-dimethyl-2-methylsulfanylpentan-3-amine (PubChem CID 14405832) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 2,4-dimethyl-2-methylsulfanylpentan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-2-methylsulfanylpentan-3-amine
PubChem CID14405832
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name2,4-dimethyl-2-methylsulfanylpentan-3-amine
SMILESCSC(C)(C)C(N)C(C)C
InChIInChI=1S/C8H19NS/c1-6(2)7(9)8(3,4)10-5/h6-7H,9H2,1-5H3
InChIKeyAMWYLJCKMJDCFA-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-methylsulfanylpentan-3-amine?
The IUPAC name of 2,4-dimethyl-2-methylsulfanylpentan-3-amine (CID 14405832) is 2,4-dimethyl-2-methylsulfanylpentan-3-amine.
What is the SMILES notation for 2,4-dimethyl-2-methylsulfanylpentan-3-amine?
The canonical SMILES for 2,4-dimethyl-2-methylsulfanylpentan-3-amine is CSC(C)(C)C(N)C(C)C.
What is the InChIKey of 2,4-dimethyl-2-methylsulfanylpentan-3-amine?
The InChIKey is AMWYLJCKMJDCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-6(2)7(9)8(3,4)10-5/h6-7H,9H2,1-5H3.
What are the key properties of 2,4-dimethyl-2-methylsulfanylpentan-3-amine?
2,4-dimethyl-2-methylsulfanylpentan-3-amine has a molecular weight of 161.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-methylsulfanylpentan-3-amine is sourced from PubChem (CID 14405832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).