(3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine

C15H29NS2 — CID 113299669

IUPAC(3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
SMILESCCC1SCCSC1C(N)C1CCC(C)C(C)C1
InChIInChI=1S/C15H29NS2/c1-4-13-15(18-8-7-17-13)14(16)12-6-5-10(2)11(3)9-12/h10-15H,4-9,16H2,1-3H3
InChIKeyGWCVDLSZTYRNLR-UHFFFAOYSA-N
MW287.54 g/mol
LogP4.01
Rot. Bonds3

About (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine

(3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine (PubChem CID 113299669) has the molecular formula C15H29NS2 and a molecular weight of 287.54 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
PubChem CID113299669
Molecular FormulaC15H29NS2
Molecular Weight287.54 g/mol
Exact Mass287.17
IUPAC Name(3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
SMILESCCC1SCCSC1C(N)C1CCC(C)C(C)C1
InChIInChI=1S/C15H29NS2/c1-4-13-15(18-8-7-17-13)14(16)12-6-5-10(2)11(3)9-12/h10-15H,4-9,16H2,1-3H3
InChIKeyGWCVDLSZTYRNLR-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-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

(4-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 113299690
cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 82931537
2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387594
(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanamine
CID 105154564
(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine
CID 107189199
1-(3-ethyl-1,4-dithian-2-yl)but-3-yn-1-amine
CID 115387674
1-(3-ethyl-1,4-dithian-2-yl)pent-3-yn-1-amine
CID 115387463
(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 113299467
4-(1-chloropropyl)-1,2-dimethylcyclohexane
CID 79307796
(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881896
1-(3,4-dimethylcyclohexyl)-3-methylpentan-1-amine
CID 104989434
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102833588

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine (CID 113299669) is (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine is CCC1SCCSC1C(N)C1CCC(C)C(C)C1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine?
The InChIKey is GWCVDLSZTYRNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS2/c1-4-13-15(18-8-7-17-13)14(16)12-6-5-10(2)11(3)9-12/h10-15H,4-9,16H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine?
(3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine has a molecular weight of 287.54 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 113299669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).