(1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine

C17H19N3 — CID 102288486

IUPAC(1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine
SMILESCC1(C)[C@@H]2C[C@H]1[C@H](N)c1nc(-c3ccccn3)ccc12
InChIInChI=1S/C17H19N3/c1-17(2)11-9-12(17)15(18)16-10(11)6-7-14(20-16)13-5-3-4-8-19-13/h3-8,11-12,15H,9,18H2,1-2H3/t11-,12+,15+/m1/s1
InChIKeyUEFVCAMFKRLNPW-XUJVJEKNSA-N
MW265.36 g/mol
LogP3.29
Rot. Bonds1

About (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine

(1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine (PubChem CID 102288486) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine.

Molecular Properties

Compound Name(1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine
PubChem CID102288486
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine
SMILESCC1(C)[C@@H]2C[C@H]1[C@H](N)c1nc(-c3ccccn3)ccc12
InChIInChI=1S/C17H19N3/c1-17(2)11-9-12(17)15(18)16-10(11)6-7-14(20-16)13-5-3-4-8-19-13/h3-8,11-12,15H,9,18H2,1-2H3/t11-,12+,15+/m1/s1
InChIKeyUEFVCAMFKRLNPW-XUJVJEKNSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine with MolForge

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Launch Full Analysis

Related Compounds

(1S,8R,9S)-8-benzyl-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 11099896
(1R,8S,9R)-10,10-dimethyl-8-pentyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 10471267
(1R,9R)-10,10-dimethyl-5-(6-pyridin-2-yl-2-pyridinyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 101470476
(1R,8S,9R)-8-ethyl-10,10-dimethyl-5-(6-phenyl-2-pyridinyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 101086223
(1R,8S,9R)-8-butyl-5-[6-[(1R,8S,9R)-8-butyl-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-2-pyridinyl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 11226395
(1S,8S,9R)-8-ethyl-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-ol
CID 101383236
(1S,8S,9R)-8-butyl-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-ol
CID 101383238
2-[(1S,8R,9S)-8-benzyl-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenol
CID 136743185
diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane
CID 58626968
(1R,8S,9R)-5-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-8-ethyl-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 101086218
(1R,8S,9R)-5-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-10,10-dimethyl-8-propan-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 101086219
6-(6-pyridin-2-ylpyridazin-3-yl)pyridin-2-amine
CID 143616941

Frequently Asked Questions

What is the IUPAC name of (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine?
The IUPAC name of (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine (CID 102288486) is (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine.
What is the SMILES notation for (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine?
The canonical SMILES for (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine is CC1(C)[C@@H]2C[C@H]1[C@H](N)c1nc(-c3ccccn3)ccc12.
What is the InChIKey of (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine?
The InChIKey is UEFVCAMFKRLNPW-XUJVJEKNSA-N. The full InChI is InChI=1S/C17H19N3/c1-17(2)11-9-12(17)15(18)16-10(11)6-7-14(20-16)13-5-3-4-8-19-13/h3-8,11-12,15H,9,18H2,1-2H3/t11-,12+,15+/m1/s1.
What are the key properties of (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine?
(1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine has a molecular weight of 265.36 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine is sourced from PubChem (CID 102288486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).