N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine

C11H20N2O — CID 130769892

IUPACN-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine
SMILESCNC1(CN2CC3CC2CO3)CCC1
InChIInChI=1S/C11H20N2O/c1-12-11(3-2-4-11)8-13-6-10-5-9(13)7-14-10/h9-10,12H,2-8H2,1H3
InChIKeyHQITZVNUSCFNBR-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.60
Rot. Bonds3

About N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine

N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine (PubChem CID 130769892) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine
PubChem CID130769892
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine
SMILESCNC1(CN2CC3CC2CO3)CCC1
InChIInChI=1S/C11H20N2O/c1-12-11(3-2-4-11)8-13-6-10-5-9(13)7-14-10/h9-10,12H,2-8H2,1H3
InChIKeyHQITZVNUSCFNBR-UHFFFAOYSA-N
XLogP0.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine?
The IUPAC name of N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine (CID 130769892) is N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine is CNC1(CN2CC3CC2CO3)CCC1.
What is the InChIKey of N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine?
The InChIKey is HQITZVNUSCFNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-11(3-2-4-11)8-13-6-10-5-9(13)7-14-10/h9-10,12H,2-8H2,1H3.
What are the key properties of N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine?
N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 130769892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).