(10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C19H22N2 — CID 137454690

IUPAC(10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1cc(C)c(C2C3CN(c4ccccc43)[C@@H]2C)c(C)n1
InChIInChI=1S/C19H22N2/c1-11-9-12(2)20-13(3)18(11)19-14(4)21-10-16(19)15-7-5-6-8-17(15)21/h5-9,14,16,19H,10H2,1-4H3/t14-,16?,19?/m1/s1
InChIKeyFZOUNZHHBKNEBR-ICXUMSERSA-N
MW278.40 g/mol
LogP4.10
Rot. Bonds1

About (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

(10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 137454690) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name(10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID137454690
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCc1cc(C)c(C2C3CN(c4ccccc43)[C@@H]2C)c(C)n1
InChIInChI=1S/C19H22N2/c1-11-9-12(2)20-13(3)18(11)19-14(4)21-10-16(19)15-7-5-6-8-17(15)21/h5-9,14,16,19H,10H2,1-4H3/t14-,16?,19?/m1/s1
InChIKeyFZOUNZHHBKNEBR-ICXUMSERSA-N
XLogP4.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 137454690) is (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is Cc1cc(C)c(C2C3CN(c4ccccc43)[C@@H]2C)c(C)n1.
What is the InChIKey of (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is FZOUNZHHBKNEBR-ICXUMSERSA-N. The full InChI is InChI=1S/C19H22N2/c1-11-9-12(2)20-13(3)18(11)19-14(4)21-10-16(19)15-7-5-6-8-17(15)21/h5-9,14,16,19H,10H2,1-4H3/t14-,16?,19?/m1/s1.
What are the key properties of (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
(10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 278.40 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-methyl-9-(2,4,6-trimethyl-3-pyridinyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 137454690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).