3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane

C18H26N2O — CID 115313667

IUPAC3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1(C)CC(N2CCC3CCC(C2)N3)c2ccccc2O1
InChIInChI=1S/C18H26N2O/c1-18(2)11-16(15-5-3-4-6-17(15)21-18)20-10-9-13-7-8-14(12-20)19-13/h3-6,13-14,16,19H,7-12H2,1-2H3
InChIKeyVNDBLPGLPRFRIN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.12
Rot. Bonds1

About 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane

3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115313667) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115313667
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1(C)CC(N2CCC3CCC(C2)N3)c2ccccc2O1
InChIInChI=1S/C18H26N2O/c1-18(2)11-16(15-5-3-4-6-17(15)21-18)20-10-9-13-7-8-14(12-20)19-13/h3-6,13-14,16,19H,7-12H2,1-2H3
InChIKeyVNDBLPGLPRFRIN-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane (CID 115313667) is 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane is CC1(C)CC(N2CCC3CCC(C2)N3)c2ccccc2O1.
What is the InChIKey of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is VNDBLPGLPRFRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2)11-16(15-5-3-4-6-17(15)21-18)20-10-9-13-7-8-14(12-20)19-13/h3-6,13-14,16,19H,7-12H2,1-2H3.
What are the key properties of 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane?
3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 286.42 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115313667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).