3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine

C19H25NS — CID 80526459

IUPAC3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCC(C)(C)c3cccs3)C2)c1
InChIInChI=1S/C19H25NS/c1-14-6-4-7-15(10-14)16-11-17(12-16)20-13-19(2,3)18-8-5-9-21-18/h4-10,16-17,20H,11-13H2,1-3H3
InChIKeyWUNVBPODGSYHEI-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.87
Rot. Bonds5

About 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine

3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine (PubChem CID 80526459) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
PubChem CID80526459
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NCC(C)(C)c3cccs3)C2)c1
InChIInChI=1S/C19H25NS/c1-14-6-4-7-15(10-14)16-11-17(12-16)20-13-19(2,3)18-8-5-9-21-18/h4-10,16-17,20H,11-13H2,1-3H3
InChIKeyWUNVBPODGSYHEI-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
CID 43633047
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
2-methyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 104530190
2,4-dimethyl-1-[[3-(3-methylphenyl)cyclobutyl]amino]pentan-2-ol
CID 66178527
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202
3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine (CID 80526459) is 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine is Cc1cccc(C2CC(NCC(C)(C)c3cccs3)C2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine?
The InChIKey is WUNVBPODGSYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-14-6-4-7-15(10-14)16-11-17(12-16)20-13-19(2,3)18-8-5-9-21-18/h4-10,16-17,20H,11-13H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine?
3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 80526459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).