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

C14H25NS — CID 129016027

IUPACN-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
SMILESCNCC1CCCC(SC(C)=C(C)C)=C1C
InChIInChI=1S/C14H25NS/c1-10(2)12(4)16-14-8-6-7-13(9-15-5)11(14)3/h13,15H,6-9H2,1-5H3
InChIKeyFIRSXQMXQFXDBC-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.33
Rot. Bonds4

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

N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine (PubChem CID 129016027) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
PubChem CID129016027
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
SMILESCNCC1CCCC(SC(C)=C(C)C)=C1C
InChIInChI=1S/C14H25NS/c1-10(2)12(4)16-14-8-6-7-13(9-15-5)11(14)3/h13,15H,6-9H2,1-5H3
InChIKeyFIRSXQMXQFXDBC-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine (CID 129016027) is N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine is CNCC1CCCC(SC(C)=C(C)C)=C1C.
What is the InChIKey of N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The InChIKey is FIRSXQMXQFXDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-10(2)12(4)16-14-8-6-7-13(9-15-5)11(14)3/h13,15H,6-9H2,1-5H3.
What are the key properties of N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine has a molecular weight of 239.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine is sourced from PubChem (CID 129016027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).