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

C10H22N2S — CID 43367696

IUPAC3-[butyl(ethyl)amino]-2-methylpropanethioamide
SMILESCCCCN(CC)CC(C)C(N)=S
InChIInChI=1S/C10H22N2S/c1-4-6-7-12(5-2)8-9(3)10(11)13/h9H,4-8H2,1-3H3,(H2,11,13)
InChIKeyXBVGDSILWVENCW-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.03
Rot. Bonds7

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

3-[butyl(ethyl)amino]-2-methylpropanethioamide (PubChem CID 43367696) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-[butyl(ethyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[butyl(ethyl)amino]-2-methylpropanethioamide
PubChem CID43367696
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name3-[butyl(ethyl)amino]-2-methylpropanethioamide
SMILESCCCCN(CC)CC(C)C(N)=S
InChIInChI=1S/C10H22N2S/c1-4-6-7-12(5-2)8-9(3)10(11)13/h9H,4-8H2,1-3H3,(H2,11,13)
InChIKeyXBVGDSILWVENCW-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.03
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

3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide
CID 62228669
3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
CID 106452806
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736
3-[ethyl(2-phenylsulfanylethyl)amino]-2-methylpropanethioamide
CID 79222046
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
N-butyl-N-ethyl-2-methylpentane-1,5-diamine
CID 104681772
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-butylpropanamide
CID 54987379
2-methylicosanethioamide
CID 23451986
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanethioamide
CID 64800753
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
2-[docosyl(ethyl)amino]ethane-1,1-diol
CID 175231954

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[butyl(ethyl)amino]-2-methylpropanethioamide (CID 43367696) is 3-[butyl(ethyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[butyl(ethyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[butyl(ethyl)amino]-2-methylpropanethioamide is CCCCN(CC)CC(C)C(N)=S.
What is the InChIKey of 3-[butyl(ethyl)amino]-2-methylpropanethioamide?
The InChIKey is XBVGDSILWVENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-4-6-7-12(5-2)8-9(3)10(11)13/h9H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of 3-[butyl(ethyl)amino]-2-methylpropanethioamide?
3-[butyl(ethyl)amino]-2-methylpropanethioamide has a molecular weight of 202.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 43367696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).