[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine

C13H26N2O — CID 103562756

IUPAC[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
SMILESCCOC1CCCN(C2(CN)CC(C)C2)C1
InChIInChI=1S/C13H26N2O/c1-3-16-12-5-4-6-15(9-12)13(10-14)7-11(2)8-13/h11-12H,3-10,14H2,1-2H3
InChIKeyRFXDMXXMASBKHN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds4

About [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine

[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine (PubChem CID 103562756) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
PubChem CID103562756
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
SMILESCCOC1CCCN(C2(CN)CC(C)C2)C1
InChIInChI=1S/C13H26N2O/c1-3-16-12-5-4-6-15(9-12)13(10-14)7-11(2)8-13/h11-12H,3-10,14H2,1-2H3
InChIKeyRFXDMXXMASBKHN-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine?
The IUPAC name of [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine (CID 103562756) is [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine?
The canonical SMILES for [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine is CCOC1CCCN(C2(CN)CC(C)C2)C1.
What is the InChIKey of [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine?
The InChIKey is RFXDMXXMASBKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-16-12-5-4-6-15(9-12)13(10-14)7-11(2)8-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine?
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine is sourced from PubChem (CID 103562756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).