N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C15H25NO — CID 80714507

IUPACN-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESC1CC(NC2CC3CCC2O3)CC(C2CC2)C1
InChIInChI=1S/C15H25NO/c1-2-11(10-4-5-10)8-12(3-1)16-14-9-13-6-7-15(14)17-13/h10-16H,1-9H2
InChIKeyIUWWKMMZTPTTOH-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.86
Rot. Bonds3

About N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80714507) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80714507
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESC1CC(NC2CC3CCC2O3)CC(C2CC2)C1
InChIInChI=1S/C15H25NO/c1-2-11(10-4-5-10)8-12(3-1)16-14-9-13-6-7-15(14)17-13/h10-16H,1-9H2
InChIKeyIUWWKMMZTPTTOH-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80714507) is N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine is C1CC(NC2CC3CCC2O3)CC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is IUWWKMMZTPTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-11(10-4-5-10)8-12(3-1)16-14-9-13-6-7-15(14)17-13/h10-16H,1-9H2.
What are the key properties of N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80714507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).