2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine

C13H25NS — CID 62577333

IUPAC2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine
SMILESCC(C)(C)SCCNC(C1CC1)C1CC1
InChIInChI=1S/C13H25NS/c1-13(2,3)15-9-8-14-12(10-4-5-10)11-6-7-11/h10-12,14H,4-9H2,1-3H3
InChIKeyZHBZAVJCFRRNCG-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.30
Rot. Bonds6

About 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine

2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine (PubChem CID 62577333) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine
PubChem CID62577333
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine
SMILESCC(C)(C)SCCNC(C1CC1)C1CC1
InChIInChI=1S/C13H25NS/c1-13(2,3)15-9-8-14-12(10-4-5-10)11-6-7-11/h10-12,14H,4-9H2,1-3H3
InChIKeyZHBZAVJCFRRNCG-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(dicyclopropylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 115710731
2-cyclopentylsulfanyl-N-(dicyclopropylmethyl)ethanamine
CID 63115703
N-(2-tert-butylsulfanylethyl)pentan-3-amine
CID 62576921
N'-(dicyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61480803
N-(dicyclopropylmethyl)-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 61068047
N-(dicyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 62580330
1-N-(dicyclopropylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62847502
N-[(4-tert-butylcyclohexyl)-cyclohexylmethyl]propan-1-amine
CID 65412906
2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
CID 81411710
N-(dicyclopropylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 115717378
N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
CID 115901279
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine (CID 62577333) is 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine is CC(C)(C)SCCNC(C1CC1)C1CC1.
What is the InChIKey of 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine?
The InChIKey is ZHBZAVJCFRRNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-13(2,3)15-9-8-14-12(10-4-5-10)11-6-7-11/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine?
2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine has a molecular weight of 227.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine is sourced from PubChem (CID 62577333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).