2,4-dimethyl-N-methylsulfanylpentan-1-amine

C8H19NS — CID 167247133

IUPAC2,4-dimethyl-N-methylsulfanylpentan-1-amine
SMILESCSNCC(C)CC(C)C
InChIInChI=1S/C8H19NS/c1-7(2)5-8(3)6-9-10-4/h7-9H,5-6H2,1-4H3
InChIKeyNHILYYMKZHMLHN-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.54
Rot. Bonds5

About 2,4-dimethyl-N-methylsulfanylpentan-1-amine

2,4-dimethyl-N-methylsulfanylpentan-1-amine (PubChem CID 167247133) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 2,4-dimethyl-N-methylsulfanylpentan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-methylsulfanylpentan-1-amine
PubChem CID167247133
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name2,4-dimethyl-N-methylsulfanylpentan-1-amine
SMILESCSNCC(C)CC(C)C
InChIInChI=1S/C8H19NS/c1-7(2)5-8(3)6-9-10-4/h7-9H,5-6H2,1-4H3
InChIKeyNHILYYMKZHMLHN-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N-methylsulfanylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-methylsulfanylpentan-1-amine?
The IUPAC name of 2,4-dimethyl-N-methylsulfanylpentan-1-amine (CID 167247133) is 2,4-dimethyl-N-methylsulfanylpentan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-methylsulfanylpentan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-methylsulfanylpentan-1-amine is CSNCC(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-N-methylsulfanylpentan-1-amine?
The InChIKey is NHILYYMKZHMLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-7(2)5-8(3)6-9-10-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-methylsulfanylpentan-1-amine?
2,4-dimethyl-N-methylsulfanylpentan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-methylsulfanylpentan-1-amine is sourced from PubChem (CID 167247133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).