(10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene

C16H21ClN2 — CID 15765848

IUPAC(10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene
SMILESC[C@@H]1CCC[C@]2(C)CC(=Nc3cc(Cl)ccc3N2)C1
InChIInChI=1S/C16H21ClN2/c1-11-4-3-7-16(2)10-13(8-11)18-15-9-12(17)5-6-14(15)19-16/h5-6,9,11,19H,3-4,7-8,10H2,1-2H3/t11-,16-/m1/s1
InChIKeyRQEPINZUQZQJGC-BDJLRTHQSA-N
MW276.81 g/mol
LogP5.20
Rot. Bonds

About (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene

(10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene (PubChem CID 15765848) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene.

Molecular Properties

Compound Name(10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene
PubChem CID15765848
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name(10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene
SMILESC[C@@H]1CCC[C@]2(C)CC(=Nc3cc(Cl)ccc3N2)C1
InChIInChI=1S/C16H21ClN2/c1-11-4-3-7-16(2)10-13(8-11)18-15-9-12(17)5-6-14(15)19-16/h5-6,9,11,19H,3-4,7-8,10H2,1-2H3/t11-,16-/m1/s1
InChIKeyRQEPINZUQZQJGC-BDJLRTHQSA-N
XLogP5.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.81
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene?
The IUPAC name of (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene (CID 15765848) is (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene.
What is the SMILES notation for (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene?
The canonical SMILES for (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene is C[C@@H]1CCC[C@]2(C)CC(=Nc3cc(Cl)ccc3N2)C1.
What is the InChIKey of (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene?
The InChIKey is RQEPINZUQZQJGC-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-11-4-3-7-16(2)10-13(8-11)18-15-9-12(17)5-6-14(15)19-16/h5-6,9,11,19H,3-4,7-8,10H2,1-2H3/t11-,16-/m1/s1.
What are the key properties of (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene?
(10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene has a molecular weight of 276.81 g/mol, XLogP of 5.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,14R)-5-chloro-10,14-dimethyl-2,9-diazatricyclo[8.5.1.03,8]hexadeca-1,3(8),4,6-tetraene is sourced from PubChem (CID 15765848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).