N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine

C8H15NO — CID 146275514

IUPACN-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine
SMILESCCNC1CC2CC(C1)O2
InChIInChI=1S/C8H15NO/c1-2-9-6-3-7-5-8(4-6)10-7/h6-9H,2-5H2,1H3
InChIKeyJFQALECLXUKGGW-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds2

About N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine

N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine (PubChem CID 146275514) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine
PubChem CID146275514
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine
SMILESCCNC1CC2CC(C1)O2
InChIInChI=1S/C8H15NO/c1-2-9-6-3-7-5-8(4-6)10-7/h6-9H,2-5H2,1H3
InChIKeyJFQALECLXUKGGW-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine?
The IUPAC name of N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine (CID 146275514) is N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine.
What is the SMILES notation for N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine?
The canonical SMILES for N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine is CCNC1CC2CC(C1)O2.
What is the InChIKey of N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine?
The InChIKey is JFQALECLXUKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-6-3-7-5-8(4-6)10-7/h6-9H,2-5H2,1H3.
What are the key properties of N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine?
N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxabicyclo[3.1.1]heptan-3-amine is sourced from PubChem (CID 146275514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).