3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide

C11H24N2OS — CID 106452806

IUPAC3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
SMILESCCCOCCN(CC)CC(C)C(N)=S
InChIInChI=1S/C11H24N2OS/c1-4-7-14-8-6-13(5-2)9-10(3)11(12)15/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyCAFDHXCLAXLPPY-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.66
Rot. Bonds9

About 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide

3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide (PubChem CID 106452806) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
PubChem CID106452806
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
SMILESCCCOCCN(CC)CC(C)C(N)=S
InChIInChI=1S/C11H24N2OS/c1-4-7-14-8-6-13(5-2)9-10(3)11(12)15/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyCAFDHXCLAXLPPY-UHFFFAOYSA-N
XLogP1.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736
3-[butyl(ethyl)amino]-2-methylpropanethioamide
CID 43367696
2-[ethyl(2-propoxyethyl)amino]ethanethioamide
CID 106452820
3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide
CID 62228669
3-[ethyl(2-phenylsulfanylethyl)amino]-2-methylpropanethioamide
CID 79222046
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]-2-methylpropanethioamide
CID 63985285
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropanimidamide
CID 106453223
2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
CID 106452819
N'-ethyl-N'-(2-propoxyethyl)propane-1,3-diamine
CID 106450802
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
CID 106452807
2-(2-propoxyethoxy)ethanethioamide
CID 63686022
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide (CID 106452806) is 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide is CCCOCCN(CC)CC(C)C(N)=S.
What is the InChIKey of 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide?
The InChIKey is CAFDHXCLAXLPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-7-14-8-6-13(5-2)9-10(3)11(12)15/h10H,4-9H2,1-3H3,(H2,12,15).
What are the key properties of 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide?
3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide has a molecular weight of 232.39 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 106452806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).