N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C14H21NO — CID 80602845

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESC1=CC2CC1CC2CNC1CC2CCC1O2
InChIInChI=1S/C14H21NO/c1-2-10-5-9(1)6-11(10)8-15-13-7-12-3-4-14(13)16-12/h1-2,9-15H,3-8H2
InChIKeyFBXOARYLALVUFZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.11
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80602845) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80602845
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESC1=CC2CC1CC2CNC1CC2CCC1O2
InChIInChI=1S/C14H21NO/c1-2-10-5-9(1)6-11(10)8-15-13-7-12-3-4-14(13)16-12/h1-2,9-15H,3-8H2
InChIKeyFBXOARYLALVUFZ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80602845) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is C1=CC2CC1CC2CNC1CC2CCC1O2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is FBXOARYLALVUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-10-5-9(1)6-11(10)8-15-13-7-12-3-4-14(13)16-12/h1-2,9-15H,3-8H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80602845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).