3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine

C10H21NOS — CID 116503669

IUPAC3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine
SMILESC=COCCCNCCCSCC
InChIInChI=1S/C10H21NOS/c1-3-12-9-5-7-11-8-6-10-13-4-2/h3,11H,1,4-10H2,2H3
InChIKeyXESKUXAWTRIKFR-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.27
Rot. Bonds10

About 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine

3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine (PubChem CID 116503669) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine
PubChem CID116503669
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine
SMILESC=COCCCNCCCSCC
InChIInChI=1S/C10H21NOS/c1-3-12-9-5-7-11-8-6-10-13-4-2/h3,11H,1,4-10H2,2H3
InChIKeyXESKUXAWTRIKFR-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethenoxy-3-propylsulfanylpropane
CID 102248162
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
N-(3-ethenoxypropyl)formamide
CID 15193671
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658
1-(2-ethenoxyethylsulfanyl)heptane
CID 102248160
1,4-bis(ethenoxy)butane;butane
CID 158192522
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N'-(2-ethenoxyethyl)propane-1,3-diamine
CID 141284586
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471
1-ethenoxybutane;hydrate
CID 174447139
3-ethenoxy-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]propan-1-amine
CID 43771289

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine?
The IUPAC name of 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine (CID 116503669) is 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine is C=COCCCNCCCSCC.
What is the InChIKey of 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine?
The InChIKey is XESKUXAWTRIKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-12-9-5-7-11-8-6-10-13-4-2/h3,11H,1,4-10H2,2H3.
What are the key properties of 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine?
3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 116503669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).