8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine

C14H26N2O — CID 79677473

IUPAC8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(C)(C)C1CN(C2C(N)C3CCCOC32)C1
InChIInChI=1S/C14H26N2O/c1-14(2,3)9-7-16(8-9)12-11(15)10-5-4-6-17-13(10)12/h9-13H,4-8,15H2,1-3H3
InChIKeyIPMGRSYYRHZWOI-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.47
Rot. Bonds1

About 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine

8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 79677473) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID79677473
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC(C)(C)C1CN(C2C(N)C3CCCOC32)C1
InChIInChI=1S/C14H26N2O/c1-14(2,3)9-7-16(8-9)12-11(15)10-5-4-6-17-13(10)12/h9-13H,4-8,15H2,1-3H3
InChIKeyIPMGRSYYRHZWOI-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 79677473) is 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine is CC(C)(C)C1CN(C2C(N)C3CCCOC32)C1.
What is the InChIKey of 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is IPMGRSYYRHZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)9-7-16(8-9)12-11(15)10-5-4-6-17-13(10)12/h9-13H,4-8,15H2,1-3H3.
What are the key properties of 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine?
8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 238.37 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-tert-butylazetidin-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 79677473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).