1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine

C10H21NS — CID 104668682

IUPAC1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
SMILESCCSCCNC1(CC)CCC1
InChIInChI=1S/C10H21NS/c1-3-10(6-5-7-10)11-8-9-12-4-2/h11H,3-9H2,1-2H3
InChIKeyUCRKDRFOSGGFPV-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds6

About 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine

1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine (PubChem CID 104668682) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
PubChem CID104668682
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine
SMILESCCSCCNC1(CC)CCC1
InChIInChI=1S/C10H21NS/c1-3-10(6-5-7-10)11-8-9-12-4-2/h11H,3-9H2,1-2H3
InChIKeyUCRKDRFOSGGFPV-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
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

1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclobutan-1-amine
CID 116615801
9-Thia-5-azaspiro[3.7]undecane
CID 118209588
10-Thia-5-azaspiro[3.7]undecane
CID 118209607
8-Thia-5-azaspiro[3.7]undecane
CID 118209615
8-Thia-5-azaspiro[3.6]decane
CID 118210210
N-(3-methylhexan-3-yl)thian-4-amine
CID 139319987
N-tert-butyl-3-(methylsulfanylmethyl)cyclobutan-1-amine
CID 156237830
2-methyl-N-(thian-4-ylmethyl)propan-2-amine
CID 156423995
2-methyl-N-(thietan-2-ylmethyl)propan-2-amine
CID 156424003
4-methyl-N-(4-propylsulfanylbutyl)heptan-4-amine
CID 3026608
N-tert-butyl-2-(cyclopentylmethylsulfanyl)-3-methylbutan-1-amine
CID 55168076
2-methyl-N-(2-propan-2-ylsulfanylpropyl)butan-2-amine
CID 62576608

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine?
The IUPAC name of 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine (CID 104668682) is 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine?
The canonical SMILES for 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine is CCSCCNC1(CC)CCC1.
What is the InChIKey of 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine?
The InChIKey is UCRKDRFOSGGFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-10(6-5-7-10)11-8-9-12-4-2/h11H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine?
1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-ethylsulfanylethyl)cyclobutan-1-amine is sourced from PubChem (CID 104668682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).