N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine

C9H21NS — CID 139374004

IUPACN-ethyl-N-(2-methylsulfanylethyl)butan-1-amine
SMILESCCCCN(CC)CCSC
InChIInChI=1S/C9H21NS/c1-4-6-7-10(5-2)8-9-11-3/h4-9H2,1-3H3
InChIKeyRKLRARNAAYNRGK-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.47
Rot. Bonds7

About N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine

N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine (PubChem CID 139374004) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methylsulfanylethyl)butan-1-amine
PubChem CID139374004
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-ethyl-N-(2-methylsulfanylethyl)butan-1-amine
SMILESCCCCN(CC)CCSC
InChIInChI=1S/C9H21NS/c1-4-6-7-10(5-2)8-9-11-3/h4-9H2,1-3H3
InChIKeyRKLRARNAAYNRGK-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-(2-methylsulfanylethyl)butan-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 N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine?
The IUPAC name of N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine (CID 139374004) is N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine?
The canonical SMILES for N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine is CCCCN(CC)CCSC.
What is the InChIKey of N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine?
The InChIKey is RKLRARNAAYNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-4-6-7-10(5-2)8-9-11-3/h4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine?
N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 139374004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).