N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine

C20H23NO2 — CID 15489265

IUPACN-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine
SMILESc1ccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1
InChIInChI=1S/C20H23NO2/c1-2-4-10(5-3-1)9-21-19-15-11-8-12-14-13(11)16(19)18(14)20(17(12)15)22-6-7-23-20/h1-5,11-19,21H,6-9H2
InChIKeyQTKJASAPCAYRLB-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.28
Rot. Bonds3

About N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine

N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine (PubChem CID 15489265) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine.

Molecular Properties

Compound NameN-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine
PubChem CID15489265
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine
SMILESc1ccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1
InChIInChI=1S/C20H23NO2/c1-2-4-10(5-3-1)9-21-19-15-11-8-12-14-13(11)16(19)18(14)20(17(12)15)22-6-7-23-20/h1-5,11-19,21H,6-9H2
InChIKeyQTKJASAPCAYRLB-UHFFFAOYSA-N
XLogP2.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine?
The IUPAC name of N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine (CID 15489265) is N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine.
What is the SMILES notation for N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine?
The canonical SMILES for N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine is c1ccc(CNC2C3C4CC5C6C4C2C6C2(OCCO2)C53)cc1.
What is the InChIKey of N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine?
The InChIKey is QTKJASAPCAYRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-4-10(5-3-1)9-21-19-15-11-8-12-14-13(11)16(19)18(14)20(17(12)15)22-6-7-23-20/h1-5,11-19,21H,6-9H2.
What are the key properties of N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine?
N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine has a molecular weight of 309.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine is sourced from PubChem (CID 15489265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).