N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine

C18H21NO — CID 143888403

IUPACN,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine
SMILESCN(C)C1CCc2ccccc2Oc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-19(2)16-12-11-14-7-3-5-9-17(14)20-18-10-6-4-8-15(18)13-16/h3-10,16H,11-13H2,1-2H3
InChIKeyDHKGDRUSDZSZHI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.90
Rot. Bonds1

About N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine

N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine (PubChem CID 143888403) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine
PubChem CID143888403
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine
SMILESCN(C)C1CCc2ccccc2Oc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-19(2)16-12-11-14-7-3-5-9-17(14)20-18-10-6-4-8-15(18)13-16/h3-10,16H,11-13H2,1-2H3
InChIKeyDHKGDRUSDZSZHI-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine?
The IUPAC name of N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine (CID 143888403) is N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine.
What is the SMILES notation for N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine?
The canonical SMILES for N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine is CN(C)C1CCc2ccccc2Oc2ccccc2C1.
What is the InChIKey of N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine?
The InChIKey is DHKGDRUSDZSZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-19(2)16-12-11-14-7-3-5-9-17(14)20-18-10-6-4-8-15(18)13-16/h3-10,16H,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine?
N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine has a molecular weight of 267.37 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaen-10-amine is sourced from PubChem (CID 143888403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).