1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine

C16H31NS2 — CID 103346005

IUPAC1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(C1CC(C)CC(C)C1)C1CSC(C)C(C)S1
InChIInChI=1S/C16H31NS2/c1-10-6-11(2)8-14(7-10)16(17-5)15-9-18-12(3)13(4)19-15/h10-17H,6-9H2,1-5H3
InChIKeyHPSNBWLXFODAHS-UHFFFAOYSA-N
MW301.57 g/mol
LogP4.27
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine

1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (PubChem CID 103346005) has the molecular formula C16H31NS2 and a molecular weight of 301.57 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
PubChem CID103346005
Molecular FormulaC16H31NS2
Molecular Weight301.57 g/mol
Exact Mass301.19
IUPAC Name1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(C1CC(C)CC(C)C1)C1CSC(C)C(C)S1
InChIInChI=1S/C16H31NS2/c1-10-6-11(2)8-14(7-10)16(17-5)15-9-18-12(3)13(4)19-15/h10-17H,6-9H2,1-5H3
InChIKeyHPSNBWLXFODAHS-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-cyclohexyl-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345709
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103345883
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
N-[cyclobutyl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346149
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423221
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330300
cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345165
1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345808
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 103346152
[1-(5,6-dimethyl-1,4-dithian-2-yl)-2,2-dimethylpropyl]hydrazine
CID 103347111

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (CID 103346005) is 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is CNC(C1CC(C)CC(C)C1)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The InChIKey is HPSNBWLXFODAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS2/c1-10-6-11(2)8-14(7-10)16(17-5)15-9-18-12(3)13(4)19-15/h10-17H,6-9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine has a molecular weight of 301.57 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103346005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).