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

C14H25NS — CID 123720456

IUPAC[2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
SMILESCCC(C)=C(C)SC1=C(C)C(CN)CCC1
InChIInChI=1S/C14H25NS/c1-5-10(2)12(4)16-14-8-6-7-13(9-15)11(14)3/h13H,5-9,15H2,1-4H3
InChIKeySWRHECRXUBBYPP-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.46
Rot. Bonds4

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

[2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine (PubChem CID 123720456) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
PubChem CID123720456
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name[2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
SMILESCCC(C)=C(C)SC1=C(C)C(CN)CCC1
InChIInChI=1S/C14H25NS/c1-5-10(2)12(4)16-14-8-6-7-13(9-15)11(14)3/h13H,5-9,15H2,1-4H3
InChIKeySWRHECRXUBBYPP-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Methyl-1,4,5,6,7,7b-hexahydrocyclopropa[c]thiochromen-7-yl)methanamine
CID 123224243
2-[4-(6-methyl-4H-thiopyran-2-yl)cyclohept-4-en-1-yl]ethanamine
CID 123786326
N-methyl-1-[2-methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
CID 129016027
[2-Methyl-3-(3-methylbut-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine
CID 129016208
N-methyl-1-(2-methyl-3-prop-1-en-2-ylsulfanylcyclohex-2-en-1-yl)methanamine
CID 132196064
[2-methyl-3-[(Z)-3-methylpent-2-en-2-yl]sulfanylcyclohex-2-en-1-yl]methanamine
CID 173733308
CID 174045710
CID 174045710

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The IUPAC name of [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine (CID 123720456) is [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The canonical SMILES for [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine is CCC(C)=C(C)SC1=C(C)C(CN)CCC1.
What is the InChIKey of [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
The InChIKey is SWRHECRXUBBYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-5-10(2)12(4)16-14-8-6-7-13(9-15)11(14)3/h13H,5-9,15H2,1-4H3.
What are the key properties of [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine?
[2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine has a molecular weight of 239.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(3-methylpent-2-en-2-ylsulfanyl)cyclohex-2-en-1-yl]methanamine is sourced from PubChem (CID 123720456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).