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

C13H24N2O — CID 82933048

IUPAC7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESNC1C2CCOC2C1NC1CCCCCC1
InChIInChI=1S/C13H24N2O/c14-11-10-7-8-16-13(10)12(11)15-9-5-3-1-2-4-6-9/h9-13,15H,1-8,14H2
InChIKeyNGFWGTLICUNPNY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds2

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

7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 82933048) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID82933048
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESNC1C2CCOC2C1NC1CCCCCC1
InChIInChI=1S/C13H24N2O/c14-11-10-7-8-16-13(10)12(11)15-9-5-3-1-2-4-6-9/h9-13,15H,1-8,14H2
InChIKeyNGFWGTLICUNPNY-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 82933048) is 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine is NC1C2CCOC2C1NC1CCCCCC1.
What is the InChIKey of 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is NGFWGTLICUNPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-11-10-7-8-16-13(10)12(11)15-9-5-3-1-2-4-6-9/h9-13,15H,1-8,14H2.
What are the key properties of 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cycloheptyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 82933048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).