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

C14H25NO2 — CID 64863716

IUPAC7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC2CCCCO2)C2CCOC21
InChIInChI=1S/C14H25NO2/c1-14(2)12(11-6-8-17-13(11)14)15-9-10-5-3-4-7-16-10/h10-13,15H,3-9H2,1-2H3
InChIKeyPCRCZYQQDYOXIF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.96
Rot. Bonds3

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

7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64863716) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64863716
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC2CCCCO2)C2CCOC21
InChIInChI=1S/C14H25NO2/c1-14(2)12(11-6-8-17-13(11)14)15-9-10-5-3-4-7-16-10/h10-13,15H,3-9H2,1-2H3
InChIKeyPCRCZYQQDYOXIF-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.96
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-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64863716) is 7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCC2CCCCO2)C2CCOC21.
What is the InChIKey of 7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is PCRCZYQQDYOXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2)12(11-6-8-17-13(11)14)15-9-10-5-3-4-7-16-10/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 239.36 g/mol, XLogP of 1.96, 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-(oxan-2-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64863716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).