7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine

C10H20N2O — CID 79677956

IUPAC7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCCN(CC)C1C(N)C2CCOC21
InChIInChI=1S/C10H20N2O/c1-3-12(4-2)9-8(11)7-5-6-13-10(7)9/h7-10H,3-6,11H2,1-2H3
InChIKeyBWFNTBUTVHWOAL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.44
Rot. Bonds3

About 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine

7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 79677956) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID79677956
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCCN(CC)C1C(N)C2CCOC21
InChIInChI=1S/C10H20N2O/c1-3-12(4-2)9-8(11)7-5-6-13-10(7)9/h7-10H,3-6,11H2,1-2H3
InChIKeyBWFNTBUTVHWOAL-UHFFFAOYSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 79677956) is 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine is CCN(CC)C1C(N)C2CCOC21.
What is the InChIKey of 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is BWFNTBUTVHWOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-12(4-2)9-8(11)7-5-6-13-10(7)9/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,7-N-diethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 79677956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).