2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane

C18H38N2S — CID 143703564

IUPAC2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane
SMILESCC.CC1=CCCC(C)C1NCC1CNC(C)S1.CCC
InChIInChI=1S/C13H24N2S.C3H8.C2H6/c1-9-5-4-6-10(2)13(9)15-8-12-7-14-11(3)16-12;1-3-2;1-2/h5,10-15H,4,6-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyFHAQCQGDROKHLY-UHFFFAOYSA-N
MW314.58 g/mol
LogP4.81
Rot. Bonds3

About 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane

2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane (PubChem CID 143703564) has the molecular formula C18H38N2S and a molecular weight of 314.58 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane
PubChem CID143703564
Molecular FormulaC18H38N2S
Molecular Weight314.58 g/mol
Exact Mass314.28
IUPAC Name2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane
SMILESCC.CC1=CCCC(C)C1NCC1CNC(C)S1.CCC
InChIInChI=1S/C13H24N2S.C3H8.C2H6/c1-9-5-4-6-10(2)13(9)15-8-12-7-14-11(3)16-12;1-3-2;1-2/h5,10-15H,4,6-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyFHAQCQGDROKHLY-UHFFFAOYSA-N
XLogP4.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.58
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane with MolForge

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Related Compounds

2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
4-[amino(cyclobuten-1-yl)methyl]-N-methylthiolan-3-amine
CID 130220826
2-Methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine
CID 142009824
N-[3-(3,5-dimethyl-6-methylsulfanylcyclohex-3-en-1-yl)propyl]pentan-2-amine
CID 146635349
2-Cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine
CID 66216932
2-Cyclohex-3-en-1-yl-4-ethyl-1,3-thiazolidine
CID 66231452
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]thiolan-3-amine
CID 103277164
2-(3,5-Dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine
CID 103277777
2-(3,5-Dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine
CID 103277778
2-(3,5-Dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazolidine
CID 103277779
2-(3,5-Dimethylcyclohex-3-en-1-yl)-4-ethyl-1,3-thiazolidine
CID 103277784
2-(3,5-Dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine
CID 103277785

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane?
The IUPAC name of 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane (CID 143703564) is 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane.
What is the SMILES notation for 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane?
The canonical SMILES for 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane is CC.CC1=CCCC(C)C1NCC1CNC(C)S1.CCC.
What is the InChIKey of 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane?
The InChIKey is FHAQCQGDROKHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S.C3H8.C2H6/c1-9-5-4-6-10(2)13(9)15-8-12-7-14-11(3)16-12;1-3-2;1-2/h5,10-15H,4,6-8H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane?
2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane has a molecular weight of 314.58 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane is sourced from PubChem (CID 143703564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).