2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine

C11H23NOS — CID 106427700

IUPAC2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNCCOCCCC
InChIInChI=1S/C11H23NOS/c1-3-5-8-13-9-6-12-7-11-14-10-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyKPRBRLHDPVIDEG-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.31
Rot. Bonds11

About 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine

2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine (PubChem CID 106427700) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
PubChem CID106427700
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
SMILESC=CCSCCNCCOCCCC
InChIInChI=1S/C11H23NOS/c1-3-5-8-13-9-6-12-7-11-14-10-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyKPRBRLHDPVIDEG-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
CID 106427537
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62576536
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
2-butoxy-N-[2-(2-methylbutylsulfanyl)ethyl]ethanamine
CID 107757478
2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470898
2-butoxy-N-[2-(cyclopentylmethylsulfanyl)ethyl]ethanamine
CID 63119973
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
2-butoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757262

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine (CID 106427700) is 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine is C=CCSCCNCCOCCCC.
What is the InChIKey of 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine?
The InChIKey is KPRBRLHDPVIDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-5-8-13-9-6-12-7-11-14-10-4-2/h4,12H,2-3,5-11H2,1H3.
What are the key properties of 2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine?
2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine has a molecular weight of 217.38 g/mol, XLogP of 2.31, 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-prop-2-enylsulfanylethyl)ethanamine is sourced from PubChem (CID 106427700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).