1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine

C14H27NS2 — CID 103345709

IUPAC1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(C1CCCCC1)C1CSC(C)C(C)S1
InChIInChI=1S/C14H27NS2/c1-10-11(2)17-13(9-16-10)14(15-3)12-7-5-4-6-8-12/h10-15H,4-9H2,1-3H3
InChIKeyBVJSQXVZHTWVDB-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.78
Rot. Bonds3

About 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine

1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (PubChem CID 103345709) has the molecular formula C14H27NS2 and a molecular weight of 273.51 g/mol. Its IUPAC name is 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
PubChem CID103345709
Molecular FormulaC14H27NS2
Molecular Weight273.51 g/mol
Exact Mass273.16
IUPAC Name1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(C1CCCCC1)C1CSC(C)C(C)S1
InChIInChI=1S/C14H27NS2/c1-10-11(2)17-13(9-16-10)14(15-3)12-7-5-4-6-8-12/h10-15H,4-9H2,1-3H3
InChIKeyBVJSQXVZHTWVDB-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103346005
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103345883
N-[cyclobutyl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346149
2-cyclopropyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 103345724
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 103345778
cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345165
1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
CID 65399883
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345806
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950
1-cyclohexyl-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107187738

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (CID 103345709) is 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is CNC(C1CCCCC1)C1CSC(C)C(C)S1.
What is the InChIKey of 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The InChIKey is BVJSQXVZHTWVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS2/c1-10-11(2)17-13(9-16-10)14(15-3)12-7-5-4-6-8-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine has a molecular weight of 273.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103345709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).