3-[2-methylpentyl(propan-2-yl)amino]propanethioamide

C12H26N2S — CID 62265710

IUPAC3-[2-methylpentyl(propan-2-yl)amino]propanethioamide
SMILESCCCC(C)CN(CCC(N)=S)C(C)C
InChIInChI=1S/C12H26N2S/c1-5-6-11(4)9-14(10(2)3)8-7-12(13)15/h10-11H,5-9H2,1-4H3,(H2,13,15)
InChIKeyANAMCGROUDETHY-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.81
Rot. Bonds8

About 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide

3-[2-methylpentyl(propan-2-yl)amino]propanethioamide (PubChem CID 62265710) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[2-methylpentyl(propan-2-yl)amino]propanethioamide
PubChem CID62265710
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name3-[2-methylpentyl(propan-2-yl)amino]propanethioamide
SMILESCCCC(C)CN(CCC(N)=S)C(C)C
InChIInChI=1S/C12H26N2S/c1-5-6-11(4)9-14(10(2)3)8-7-12(13)15/h10-11H,5-9H2,1-4H3,(H2,13,15)
InChIKeyANAMCGROUDETHY-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
CID 62265559
3-[2-methoxyethyl(pentan-2-yl)amino]propanethioamide
CID 107895715
3-[butan-2-yl(ethyl)amino]propanethioamide
CID 43274551
3-methylhexanethioamide
CID 62266402
3-[propan-2-yl(4,4,4-trifluorobutyl)amino]propanethioamide
CID 115513943
2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-N-methyl-N-propan-2-ylacetamide
CID 54997818
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide
CID 82104231
3-[propan-2-yl(pyrimidin-2-ylmethyl)amino]propanethioamide
CID 62699551
2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-N-(2-methylbutan-2-yl)acetamide
CID 54998440
(2S)-2-methyl-N,N-di(propan-2-yl)pentan-1-amine
CID 102003612
3-[4-methylpentyl(2-methylpropyl)amino]propanethioamide
CID 83155682
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide?
The IUPAC name of 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide (CID 62265710) is 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide.
What is the SMILES notation for 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide?
The canonical SMILES for 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide is CCCC(C)CN(CCC(N)=S)C(C)C.
What is the InChIKey of 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide?
The InChIKey is ANAMCGROUDETHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-5-6-11(4)9-14(10(2)3)8-7-12(13)15/h10-11H,5-9H2,1-4H3,(H2,13,15).
What are the key properties of 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide?
3-[2-methylpentyl(propan-2-yl)amino]propanethioamide has a molecular weight of 230.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpentyl(propan-2-yl)amino]propanethioamide is sourced from PubChem (CID 62265710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).