6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C13H26N2O2 — CID 102698586

IUPAC6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOC(C)CNCC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H26N2O2/c1-9(16-4)7-15-8-13(14)10-5-6-17-11(10)12(13,2)3/h9-11,15H,5-8,14H2,1-4H3
InChIKeyJQUWSFQDFIYOJT-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.75
Rot. Bonds5

About 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 102698586) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID102698586
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOC(C)CNCC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H26N2O2/c1-9(16-4)7-15-8-13(14)10-5-6-17-11(10)12(13,2)3/h9-11,15H,5-8,14H2,1-4H3
InChIKeyJQUWSFQDFIYOJT-UHFFFAOYSA-N
XLogP0.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 102698586) is 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is COC(C)CNCC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is JQUWSFQDFIYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(16-4)7-15-8-13(14)10-5-6-17-11(10)12(13,2)3/h9-11,15H,5-8,14H2,1-4H3.
What are the key properties of 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 242.36 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxypropylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 102698586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).