[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine

C13H23NS — CID 129016208

IUPAC[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
SMILESCC(C)=C(C)SC1=C(C)C(CN)CCC1
InChIInChI=1S/C13H23NS/c1-9(2)11(4)15-13-7-5-6-12(8-14)10(13)3/h12H,5-8,14H2,1-4H3
InChIKeyOWTGPSMXYRMKIK-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.07
Rot. Bonds3

About [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine

[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine (PubChem CID 129016208) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
PubChem CID129016208
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
SMILESCC(C)=C(C)SC1=C(C)C(CN)CCC1
InChIInChI=1S/C13H23NS/c1-9(2)11(4)15-13-7-5-6-12(8-14)10(13)3/h12H,5-8,14H2,1-4H3
InChIKeyOWTGPSMXYRMKIK-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The IUPAC name of [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine (CID 129016208) is [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The canonical SMILES for [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine is CC(C)=C(C)SC1=C(C)C(CN)CCC1.
What is the InChIKey of [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The InChIKey is OWTGPSMXYRMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-9(2)11(4)15-13-7-5-6-12(8-14)10(13)3/h12H,5-8,14H2,1-4H3.
What are the key properties of [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine has a molecular weight of 225.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine is sourced from PubChem (CID 129016208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).