N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine

C13H23NO — CID 71369329

IUPACN-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine
SMILESCC12CCCOC1(NC1CCCCC1)C2
InChIInChI=1S/C13H23NO/c1-12-8-5-9-15-13(12,10-12)14-11-6-3-2-4-7-11/h11,14H,2-10H2,1H3
InChIKeyGODUPBVRXLEYFY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.83
Rot. Bonds2

About N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine

N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine (PubChem CID 71369329) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine
PubChem CID71369329
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine
SMILESCC12CCCOC1(NC1CCCCC1)C2
InChIInChI=1S/C13H23NO/c1-12-8-5-9-15-13(12,10-12)14-11-6-3-2-4-7-11/h11,14H,2-10H2,1H3
InChIKeyGODUPBVRXLEYFY-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine?
The IUPAC name of N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine (CID 71369329) is N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine.
What is the SMILES notation for N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine?
The canonical SMILES for N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine is CC12CCCOC1(NC1CCCCC1)C2.
What is the InChIKey of N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine?
The InChIKey is GODUPBVRXLEYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12-8-5-9-15-13(12,10-12)14-11-6-3-2-4-7-11/h11,14H,2-10H2,1H3.
What are the key properties of N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine?
N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-2-oxabicyclo[4.1.0]heptan-1-amine is sourced from PubChem (CID 71369329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).