2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine

C12H27NOS — CID 62576536

IUPAC2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
SMILESCCCCOCCNCCSCC(C)C
InChIInChI=1S/C12H27NOS/c1-4-5-8-14-9-6-13-7-10-15-11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyGASZHNZTKGUVMH-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.78
Rot. Bonds11

About 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine

2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine (PubChem CID 62576536) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
PubChem CID62576536
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
SMILESCCCCOCCNCCSCC(C)C
InChIInChI=1S/C12H27NOS/c1-4-5-8-14-9-6-13-7-10-15-11-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyGASZHNZTKGUVMH-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.78
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

2-butoxy-N-[2-(2-methylbutylsulfanyl)ethyl]ethanamine
CID 107757478
4-ethoxy-N-[2-(2-methylpropylsulfanyl)ethyl]butan-1-amine
CID 62576535
2-butoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757262
2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427700
2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine
CID 63119973
4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentan-1-amine
CID 62579266
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470898

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine (CID 62576536) is 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine is CCCCOCCNCCSCC(C)C.
What is the InChIKey of 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The InChIKey is GASZHNZTKGUVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-4-5-8-14-9-6-13-7-10-15-11-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine has a molecular weight of 233.42 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62576536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).