N-benzyl-2-oxaspiro[3.3]heptan-7-amine

C13H17NO — CID 171819307

IUPACN-benzyl-2-oxaspiro[3.3]heptan-7-amine
SMILESc1ccc(CNC2CCC23COC3)cc1
InChIInChI=1S/C13H17NO/c1-2-4-11(5-3-1)8-14-12-6-7-13(12)9-15-10-13/h1-5,12,14H,6-10H2
InChIKeyYOAFGSIUGWHLTG-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.96
Rot. Bonds3

About N-benzyl-2-oxaspiro[3.3]heptan-7-amine

N-benzyl-2-oxaspiro[3.3]heptan-7-amine (PubChem CID 171819307) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-benzyl-2-oxaspiro[3.3]heptan-7-amine.

Molecular Properties

Compound NameN-benzyl-2-oxaspiro[3.3]heptan-7-amine
PubChem CID171819307
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-benzyl-2-oxaspiro[3.3]heptan-7-amine
SMILESc1ccc(CNC2CCC23COC3)cc1
InChIInChI=1S/C13H17NO/c1-2-4-11(5-3-1)8-14-12-6-7-13(12)9-15-10-13/h1-5,12,14H,6-10H2
InChIKeyYOAFGSIUGWHLTG-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxaspiro[3.3]heptan-7-amine?
The IUPAC name of N-benzyl-2-oxaspiro[3.3]heptan-7-amine (CID 171819307) is N-benzyl-2-oxaspiro[3.3]heptan-7-amine.
What is the SMILES notation for N-benzyl-2-oxaspiro[3.3]heptan-7-amine?
The canonical SMILES for N-benzyl-2-oxaspiro[3.3]heptan-7-amine is c1ccc(CNC2CCC23COC3)cc1.
What is the InChIKey of N-benzyl-2-oxaspiro[3.3]heptan-7-amine?
The InChIKey is YOAFGSIUGWHLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-4-11(5-3-1)8-14-12-6-7-13(12)9-15-10-13/h1-5,12,14H,6-10H2.
What are the key properties of N-benzyl-2-oxaspiro[3.3]heptan-7-amine?
N-benzyl-2-oxaspiro[3.3]heptan-7-amine has a molecular weight of 203.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxaspiro[3.3]heptan-7-amine is sourced from PubChem (CID 171819307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).