N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C10H17NO — CID 80719866

IUPACN-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESC=C(C)CNC1CC2CCC1O2
InChIInChI=1S/C10H17NO/c1-7(2)6-11-9-5-8-3-4-10(9)12-8/h8-11H,1,3-6H2,2H3
InChIKeyDDPFTBAJHOWGQB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds3

About N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80719866) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80719866
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESC=C(C)CNC1CC2CCC1O2
InChIInChI=1S/C10H17NO/c1-7(2)6-11-9-5-8-3-4-10(9)12-8/h8-11H,1,3-6H2,2H3
InChIKeyDDPFTBAJHOWGQB-UHFFFAOYSA-N
XLogP1.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
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-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80719866) is N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine is C=C(C)CNC1CC2CCC1O2.
What is the InChIKey of N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is DDPFTBAJHOWGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)6-11-9-5-8-3-4-10(9)12-8/h8-11H,1,3-6H2,2H3.
What are the key properties of N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 167.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80719866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).