1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine

C12H25NS — CID 65458615

IUPAC1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine
SMILESCCC(C)SCC(CC1CCC1)NC
InChIInChI=1S/C12H25NS/c1-4-10(2)14-9-12(13-3)8-11-6-5-7-11/h10-13H,4-9H2,1-3H3
InChIKeyDTMFHACWAYYJFI-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds7

About 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine

1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine (PubChem CID 65458615) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine
PubChem CID65458615
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine
SMILESCCC(C)SCC(CC1CCC1)NC
InChIInChI=1S/C12H25NS/c1-4-10(2)14-9-12(13-3)8-11-6-5-7-11/h10-13H,4-9H2,1-3H3
InChIKeyDTMFHACWAYYJFI-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79562229
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
2-butan-2-ylsulfanyl-1-cyclopropyl-N-methylethanamine
CID 64612798
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclobutyl-5-ethoxy-N-methylpentan-2-amine
CID 105151604
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017
1-cyclobutyl-N,4-dimethylpent-4-en-2-amine
CID 103169029
2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine
CID 64614042
1-cyclobutyl-N,5,5-trimethylhexan-2-amine
CID 103168554
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine (CID 65458615) is 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine is CCC(C)SCC(CC1CCC1)NC.
What is the InChIKey of 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine?
The InChIKey is DTMFHACWAYYJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-10(2)14-9-12(13-3)8-11-6-5-7-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine?
1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-3-cyclobutyl-N-methylpropan-2-amine is sourced from PubChem (CID 65458615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).