6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene

C20H23N — CID 91587647

IUPAC6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene
SMILESCC(C)c1c2c(cc3c1=CCC=CC=3)C=CC(C)(C)C=N2
InChIInChI=1S/C20H23N/c1-14(2)18-17-9-7-5-6-8-15(17)12-16-10-11-20(3,4)13-21-19(16)18/h5-6,8-14H,7H2,1-4H3
InChIKeyQPPIDHKFDLUEKX-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.09
Rot. Bonds1

About 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene

6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene (PubChem CID 91587647) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene.

Molecular Properties

Compound Name6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene
PubChem CID91587647
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene
SMILESCC(C)c1c2c(cc3c1=CCC=CC=3)C=CC(C)(C)C=N2
InChIInChI=1S/C20H23N/c1-14(2)18-17-9-7-5-6-8-15(17)12-16-10-11-20(3,4)13-21-19(16)18/h5-6,8-14H,7H2,1-4H3
InChIKeyQPPIDHKFDLUEKX-UHFFFAOYSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene?
The IUPAC name of 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene (CID 91587647) is 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene.
What is the SMILES notation for 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene?
The canonical SMILES for 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene is CC(C)c1c2c(cc3c1=CCC=CC=3)C=CC(C)(C)C=N2.
What is the InChIKey of 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene?
The InChIKey is QPPIDHKFDLUEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-14(2)18-17-9-7-5-6-8-15(17)12-16-10-11-20(3,4)13-21-19(16)18/h5-6,8-14H,7H2,1-4H3.
What are the key properties of 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene?
6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene has a molecular weight of 277.41 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-propan-2-yl-4-azatricyclo[9.5.0.03,9]hexadeca-1(16),2,4,7,9,11,13-heptaene is sourced from PubChem (CID 91587647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).