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

C12H21NO — CID 130679057

IUPACN-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCC1CCC1NC1CC2CCC1O2
InChIInChI=1S/C12H21NO/c1-2-8-3-5-10(8)13-11-7-9-4-6-12(11)14-9/h8-13H,2-7H2,1H3
InChIKeyAZOLZIXZMXTWHL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.08
Rot. Bonds3

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

N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 130679057) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID130679057
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCCC1CCC1NC1CC2CCC1O2
InChIInChI=1S/C12H21NO/c1-2-8-3-5-10(8)13-11-7-9-4-6-12(11)14-9/h8-13H,2-7H2,1H3
InChIKeyAZOLZIXZMXTWHL-UHFFFAOYSA-N
XLogP2.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 130679057) is N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine is CCC1CCC1NC1CC2CCC1O2.
What is the InChIKey of N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is AZOLZIXZMXTWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-8-3-5-10(8)13-11-7-9-4-6-12(11)14-9/h8-13H,2-7H2,1H3.
What are the key properties of N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclobutyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 130679057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).