[1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine

C11H22N2O — CID 106823006

IUPAC[1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine
SMILESCCOC1CC(N2CCCC2CN)C1
InChIInChI=1S/C11H22N2O/c1-2-14-11-6-10(7-11)13-5-3-4-9(13)8-12/h9-11H,2-8,12H2,1H3
InChIKeyABUAVFDBFVFBAF-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds4

About [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine

[1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine (PubChem CID 106823006) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine
PubChem CID106823006
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine
SMILESCCOC1CC(N2CCCC2CN)C1
InChIInChI=1S/C11H22N2O/c1-2-14-11-6-10(7-11)13-5-3-4-9(13)8-12/h9-11H,2-8,12H2,1H3
InChIKeyABUAVFDBFVFBAF-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine (CID 106823006) is [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine is CCOC1CC(N2CCCC2CN)C1.
What is the InChIKey of [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine?
The InChIKey is ABUAVFDBFVFBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-14-11-6-10(7-11)13-5-3-4-9(13)8-12/h9-11H,2-8,12H2,1H3.
What are the key properties of [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine?
[1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxycyclobutyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 106823006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).