(8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone

C26H34N2O — CID 137436242

IUPAC(8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone
SMILESC[C@]12CC3CC(C(=O)N4C5CCC56CC(N)CC46)(C1)C[C@@](c1ccccc1)(C3)C2
InChIInChI=1S/C26H34N2O/c1-23-10-17-11-24(14-23,18-5-3-2-4-6-18)16-25(12-17,15-23)22(29)28-20-7-8-26(20)13-19(27)9-21(26)28/h2-6,17,19-21H,7-16,27H2,1H3/t17?,19?,20?,21?,23-,24-,25?,26?/m1/s1
InChIKeyNZELFFBXMKFIPQ-FYOYVWRSSA-N
MW390.57 g/mol
LogP4.40
Rot. Bonds2

About (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone

(8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone (PubChem CID 137436242) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone.

Molecular Properties

Compound Name(8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone
PubChem CID137436242
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name(8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone
SMILESC[C@]12CC3CC(C(=O)N4C5CCC56CC(N)CC46)(C1)C[C@@](c1ccccc1)(C3)C2
InChIInChI=1S/C26H34N2O/c1-23-10-17-11-24(14-23,18-5-3-2-4-6-18)16-25(12-17,15-23)22(29)28-20-7-8-26(20)13-19(27)9-21(26)28/h2-6,17,19-21H,7-16,27H2,1H3/t17?,19?,20?,21?,23-,24-,25?,26?/m1/s1
InChIKeyNZELFFBXMKFIPQ-FYOYVWRSSA-N
XLogP4.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone?
The IUPAC name of (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone (CID 137436242) is (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone.
What is the SMILES notation for (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone?
The canonical SMILES for (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone is C[C@]12CC3CC(C(=O)N4C5CCC56CC(N)CC46)(C1)C[C@@](c1ccccc1)(C3)C2.
What is the InChIKey of (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone?
The InChIKey is NZELFFBXMKFIPQ-FYOYVWRSSA-N. The full InChI is InChI=1S/C26H34N2O/c1-23-10-17-11-24(14-23,18-5-3-2-4-6-18)16-25(12-17,15-23)22(29)28-20-7-8-26(20)13-19(27)9-21(26)28/h2-6,17,19-21H,7-16,27H2,1H3/t17?,19?,20?,21?,23-,24-,25?,26?/m1/s1.
What are the key properties of (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone?
(8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone has a molecular weight of 390.57 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-5-azatricyclo[4.3.0.01,4]nonan-5-yl)-[(3R,5R)-3-methyl-5-phenyl-1-adamantyl]methanone is sourced from PubChem (CID 137436242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).