7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine

C13H23NO2 — CID 64869877

IUPAC7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC2CCCO2)C2CCOC21
InChIInChI=1S/C13H23NO2/c1-13(2)11(10-5-7-16-12(10)13)14-8-9-4-3-6-15-9/h9-12,14H,3-8H2,1-2H3
InChIKeyYNQBJWIDBLDZGN-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.57
Rot. Bonds3

About 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64869877) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64869877
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC2CCCO2)C2CCOC21
InChIInChI=1S/C13H23NO2/c1-13(2)11(10-5-7-16-12(10)13)14-8-9-4-3-6-15-9/h9-12,14H,3-8H2,1-2H3
InChIKeyYNQBJWIDBLDZGN-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64869877) is 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCC2CCCO2)C2CCOC21.
What is the InChIKey of 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is YNQBJWIDBLDZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)11(10-5-7-16-12(10)13)14-8-9-4-3-6-15-9/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 225.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(oxolan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64869877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).