2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine

C10H21NS — CID 65497534

IUPAC2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine
SMILESCC(C)(C)SCC1(CCN)CC1
InChIInChI=1S/C10H21NS/c1-9(2,3)12-8-10(4-5-10)6-7-11/h4-8,11H2,1-3H3
InChIKeyGINDHSGDCAPWLM-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine

2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine (PubChem CID 65497534) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine
PubChem CID65497534
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine
SMILESCC(C)(C)SCC1(CCN)CC1
InChIInChI=1S/C10H21NS/c1-9(2,3)12-8-10(4-5-10)6-7-11/h4-8,11H2,1-3H3
InChIKeyGINDHSGDCAPWLM-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,2-dimethylpropyl)cyclohexyl]ethanamine
CID 83818947
2-[1-(2-methylpropyl)cyclopropyl]ethanamine
CID 82418022
2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]cyclopropyl]ethanamine
CID 65497971
2-[1-(ethylsulfonylmethyl)cyclopropyl]ethanamine
CID 65494501
2-[1-[(1-methylimidazol-2-yl)sulfanylmethyl]cyclopropyl]ethanamine
CID 65498174
1-(tert-butylsulfanylmethyl)cyclopropane-1-carboxylic acid
CID 84770865
2-[1-(pyrazin-2-ylsulfanylmethyl)cyclopropyl]ethanamine
CID 65497970
2-[1-[(3-chlorophenyl)sulfanylmethyl]cyclopropyl]ethanamine
CID 65496907
2-[1-(propan-2-ylsulfinylmethyl)cyclopropyl]ethanamine
CID 81329383
3-[1-(2-aminoethyl)cyclobutyl]propan-1-amine
CID 140811736
2-[1-(2-aminoethyl)cyclohexyl]ethanamine;chloroform
CID 175025312
1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-methylpyrrolidin-3-ol
CID 103355608

Frequently Asked Questions

What is the IUPAC name of 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine (CID 65497534) is 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine is CC(C)(C)SCC1(CCN)CC1.
What is the InChIKey of 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine?
The InChIKey is GINDHSGDCAPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(2,3)12-8-10(4-5-10)6-7-11/h4-8,11H2,1-3H3.
What are the key properties of 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine?
2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(tert-butylsulfanylmethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 65497534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).