3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide

C11H24N2OS — CID 61484284

IUPAC3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide
SMILESCC(C)CCOCCN(C)CCC(N)=S
InChIInChI=1S/C11H24N2OS/c1-10(2)5-8-14-9-7-13(3)6-4-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyZUVLIANTBGBIDR-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.66
Rot. Bonds9

About 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide

3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide (PubChem CID 61484284) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide.

Molecular Properties

Compound Name3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide
PubChem CID61484284
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide
SMILESCC(C)CCOCCN(C)CCC(N)=S
InChIInChI=1S/C11H24N2OS/c1-10(2)5-8-14-9-7-13(3)6-4-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15)
InChIKeyZUVLIANTBGBIDR-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

5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
CID 107204197
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
CID 61484389
methyl 2-methyl-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 61066835
3-[2-(3-methoxypropoxy)ethyl-(2-methylpropyl)amino]propanethioamide
CID 103179742
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]butanimidamide
CID 63224607
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
CID 106452807
3-[2,2-difluoroethyl(methyl)amino]propanethioamide
CID 60923206
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-[4-methylpentyl(2-methylpropyl)amino]propanethioamide
CID 83155682
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-propan-2-yloxyethoxy)propanamide
CID 43291188
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869864

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide?
The IUPAC name of 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide (CID 61484284) is 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide.
What is the SMILES notation for 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide?
The canonical SMILES for 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide is CC(C)CCOCCN(C)CCC(N)=S.
What is the InChIKey of 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide?
The InChIKey is ZUVLIANTBGBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-10(2)5-8-14-9-7-13(3)6-4-11(12)15/h10H,4-9H2,1-3H3,(H2,12,15).
What are the key properties of 3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide?
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide 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-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide is sourced from PubChem (CID 61484284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).