2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine

C18H22N2 — CID 81415193

IUPAC2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
SMILESCCC1(C)C(N)CC1c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H22N2/c1-3-18(2)16(12-17(18)19)15-6-4-13(5-7-15)14-8-10-20-11-9-14/h4-11,16-17H,3,12,19H2,1-2H3
InChIKeyKVHUXNJDJYGSTR-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.98
Rot. Bonds3

About 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine

2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine (PubChem CID 81415193) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
PubChem CID81415193
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine
SMILESCCC1(C)C(N)CC1c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H22N2/c1-3-18(2)16(12-17(18)19)15-6-4-13(5-7-15)14-8-10-20-11-9-14/h4-11,16-17H,3,12,19H2,1-2H3
InChIKeyKVHUXNJDJYGSTR-UHFFFAOYSA-N
XLogP3.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine (CID 81415193) is 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine is CCC1(C)C(N)CC1c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine?
The InChIKey is KVHUXNJDJYGSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-18(2)16(12-17(18)19)15-6-4-13(5-7-15)14-8-10-20-11-9-14/h4-11,16-17H,3,12,19H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine?
2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(4-pyridin-4-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 81415193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).