[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine

C14H28N2O — CID 106822187

IUPAC[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2CCCC2C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-4-17-12-8-14(9-12,10-15)16-7-5-6-13(16)11(2)3/h11-13H,4-10,15H2,1-3H3
InChIKeyVMLRPJJBGYBHGN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds5

About [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine

[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine (PubChem CID 106822187) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
PubChem CID106822187
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
SMILESCCOC1CC(CN)(N2CCCC2C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-4-17-12-8-14(9-12,10-15)16-7-5-6-13(16)11(2)3/h11-13H,4-10,15H2,1-3H3
InChIKeyVMLRPJJBGYBHGN-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-propan-2-yl-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 103563032
[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62707704
[1-(2-ethylpyrrolidin-1-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103562653
[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
CID 106821889
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
CID 115999067
[3-ethoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methanamine
CID 106822190
[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468396
[1-(2-ethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106821751
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 106821667
[1-(4-ethoxypiperidin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64751461

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine?
The IUPAC name of [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine (CID 106822187) is [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine is CCOC1CC(CN)(N2CCCC2C(C)C)C1.
What is the InChIKey of [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine?
The InChIKey is VMLRPJJBGYBHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-17-12-8-14(9-12,10-15)16-7-5-6-13(16)11(2)3/h11-13H,4-10,15H2,1-3H3.
What are the key properties of [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine?
[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 106822187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).