2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol

C16H20N2O — CID 3049867

IUPAC2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
SMILESCN1CCc2c3n(c4ccccc24)C(C)(O)CCC31
InChIInChI=1S/C16H20N2O/c1-16(19)9-7-14-15-12(8-10-17(14)2)11-5-3-4-6-13(11)18(15)16/h3-6,14,19H,7-10H2,1-2H3
InChIKeyCCLFNMOQQGGMHD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.63
Rot. Bonds

About 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol

2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol (PubChem CID 3049867) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol.

Molecular Properties

Compound Name2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
PubChem CID3049867
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol
SMILESCN1CCc2c3n(c4ccccc24)C(C)(O)CCC31
InChIInChI=1S/C16H20N2O/c1-16(19)9-7-14-15-12(8-10-17(14)2)11-5-3-4-6-13(11)18(15)16/h3-6,14,19H,7-10H2,1-2H3
InChIKeyCCLFNMOQQGGMHD-UHFFFAOYSA-N
XLogP2.63
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol?
The IUPAC name of 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol (CID 3049867) is 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol.
What is the SMILES notation for 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol?
The canonical SMILES for 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol is CN1CCc2c3n(c4ccccc24)C(C)(O)CCC31.
What is the InChIKey of 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol?
The InChIKey is CCLFNMOQQGGMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(19)9-7-14-15-12(8-10-17(14)2)11-5-3-4-6-13(11)18(15)16/h3-6,14,19H,7-10H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol?
2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-ol is sourced from PubChem (CID 3049867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).