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

C18H27NS2 — CID 103345806

IUPAC1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1C1CCC1)C1CSC(C)C(C)S1
InChIInChI=1S/C18H27NS2/c1-12-13(2)21-17(11-20-12)18(19-3)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-10,12-14,17-19H,6-8,11H2,1-3H3
InChIKeyHLKQAIFEOUBFAK-UHFFFAOYSA-N
MW321.56 g/mol
LogP4.84
Rot. Bonds4

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

1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (PubChem CID 103345806) has the molecular formula C18H27NS2 and a molecular weight of 321.56 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
PubChem CID103345806
Molecular FormulaC18H27NS2
Molecular Weight321.56 g/mol
Exact Mass321.16
IUPAC Name1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1C1CCC1)C1CSC(C)C(C)S1
InChIInChI=1S/C18H27NS2/c1-12-13(2)21-17(11-20-12)18(19-3)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-10,12-14,17-19H,6-8,11H2,1-3H3
InChIKeyHLKQAIFEOUBFAK-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722
1-(6-bicyclo[3.1.0]hexanyl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052166
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 103345711
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103345994
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 103345763
1-(4-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345735
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
1-(2,6-dimethoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345808
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 103346465
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 103346029
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 103345907
1-(2-cyclobutylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105052427

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine (CID 103345806) is 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is CNC(c1ccccc1C1CCC1)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
The InChIKey is HLKQAIFEOUBFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS2/c1-12-13(2)21-17(11-20-12)18(19-3)16-10-5-4-9-15(16)14-7-6-8-14/h4-5,9-10,12-14,17-19H,6-8,11H2,1-3H3.
What are the key properties of 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine?
1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine has a molecular weight of 321.56 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine is sourced from PubChem (CID 103345806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).