N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine

C15H30N2O — CID 146179275

IUPACN-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine
SMILESCCN1CCC(OC2CC(NC(C)(C)C)C2)CC1
InChIInChI=1S/C15H30N2O/c1-5-17-8-6-13(7-9-17)18-14-10-12(11-14)16-15(2,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyKWFIWRYZHIDVPS-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds4

About N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine

N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine (PubChem CID 146179275) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine
PubChem CID146179275
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine
SMILESCCN1CCC(OC2CC(NC(C)(C)C)C2)CC1
InChIInChI=1S/C15H30N2O/c1-5-17-8-6-13(7-9-17)18-14-10-12(11-14)16-15(2,3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyKWFIWRYZHIDVPS-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine?
The IUPAC name of N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine (CID 146179275) is N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine is CCN1CCC(OC2CC(NC(C)(C)C)C2)CC1.
What is the InChIKey of N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine?
The InChIKey is KWFIWRYZHIDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-17-8-6-13(7-9-17)18-14-10-12(11-14)16-15(2,3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine?
N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-ethylpiperidin-4-yl)oxycyclobutan-1-amine is sourced from PubChem (CID 146179275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).