1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine

C13H26N2O — CID 64862752

IUPAC1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNC1C2CCOC2C1(C)C)N(C)C
InChIInChI=1S/C13H26N2O/c1-9(15(4)5)8-14-11-10-6-7-16-12(10)13(11,2)3/h9-12,14H,6-8H2,1-5H3
InChIKeyJOJXIZGFYNPMLN-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.34
Rot. Bonds4

About 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine

1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 64862752) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID64862752
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNC1C2CCOC2C1(C)C)N(C)C
InChIInChI=1S/C13H26N2O/c1-9(15(4)5)8-14-11-10-6-7-16-12(10)13(11,2)3/h9-12,14H,6-8H2,1-5H3
InChIKeyJOJXIZGFYNPMLN-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine 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 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine (CID 64862752) is 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNC1C2CCOC2C1(C)C)N(C)C.
What is the InChIKey of 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is JOJXIZGFYNPMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(15(4)5)8-14-11-10-6-7-16-12(10)13(11,2)3/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 64862752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).