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

C17H25NS2 — CID 103345465

IUPAC(4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
SMILESCC1SCC(C(N)c2ccc(C3CCC3)cc2)SC1C
InChIInChI=1S/C17H25NS2/c1-11-12(2)20-16(10-19-11)17(18)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,16-17H,3-5,10,18H2,1-2H3
InChIKeyWWNMVKPEPQRCES-UHFFFAOYSA-N
MW307.53 g/mol
LogP4.58
Rot. Bonds3

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

(4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine (PubChem CID 103345465) has the molecular formula C17H25NS2 and a molecular weight of 307.53 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
PubChem CID103345465
Molecular FormulaC17H25NS2
Molecular Weight307.53 g/mol
Exact Mass307.14
IUPAC Name(4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
SMILESCC1SCC(C(N)c2ccc(C3CCC3)cc2)SC1C
InChIInChI=1S/C17H25NS2/c1-11-12(2)20-16(10-19-11)17(18)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,16-17H,3-5,10,18H2,1-2H3
InChIKeyWWNMVKPEPQRCES-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-cyclobutylphenyl)-(5,6-dimethyl-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-chlorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345442
(3-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345294
(4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine
CID 116506220
7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine
CID 105045090
1-(2-cyclobutylphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345806
(5,6-dimethyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 103345448
(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000898
(5,6-dimethyl-1,4-dithian-2-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 103345566
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine (CID 103345465) is (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine is CC1SCC(C(N)c2ccc(C3CCC3)cc2)SC1C.
What is the InChIKey of (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine?
The InChIKey is WWNMVKPEPQRCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS2/c1-11-12(2)20-16(10-19-11)17(18)15-8-6-14(7-9-15)13-4-3-5-13/h6-9,11-13,16-17H,3-5,10,18H2,1-2H3.
What are the key properties of (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine?
(4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine has a molecular weight of 307.53 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 103345465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).