[4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium

C20H25N2O2+ — CID 142819212

IUPAC[4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium
SMILESO[NH+](O)c1ccc(CN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)cc1
InChIInChI=1S/C20H24N2O2/c23-22(24)19-8-5-15(6-9-19)13-21-14-16-7-10-20(21)12-18-4-2-1-3-17(18)11-16/h1-6,8-9,16,20,23-24H,7,10-14H2/p+1/t16-,20+/m1/s1
InChIKeyNRRUVPAQWONDPB-UZLBHIALSA-O
MW325.43 g/mol
LogP2.36
Rot. Bonds3

About [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium

[4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium (PubChem CID 142819212) has the molecular formula C20H25N2O2+ and a molecular weight of 325.43 g/mol. Its IUPAC name is [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium.

Molecular Properties

Compound Name[4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium
PubChem CID142819212
Molecular FormulaC20H25N2O2+
Molecular Weight325.43 g/mol
Exact Mass325.19
IUPAC Name[4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium
SMILESO[NH+](O)c1ccc(CN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)cc1
InChIInChI=1S/C20H24N2O2/c23-22(24)19-8-5-15(6-9-19)13-21-14-16-7-10-20(21)12-18-4-2-1-3-17(18)11-16/h1-6,8-9,16,20,23-24H,7,10-14H2/p+1/t16-,20+/m1/s1
InChIKeyNRRUVPAQWONDPB-UZLBHIALSA-O
XLogP2.36
TPSA48.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 25015974
(1S,10R)-11-(furan-3-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 91351586
(1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 25018533
2-[[(1R,10R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]aniline
CID 25019324
4-(11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-ylmethyl)-2-bromobenzaldehyde
CID 87867937
ethane;11-propyl-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 90927878
(1S,10R)-11-[(5-methylthiophen-2-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 91302705
(1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 58926615
(1R,10R)-11-(1H-indol-7-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 25018042
11-methyl-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 142819225
diethyl 5-[[(1R)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 142819199
(1S,5S)-6-benzyl-N-ethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133122401

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium?
The IUPAC name of [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium (CID 142819212) is [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium.
What is the SMILES notation for [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium?
The canonical SMILES for [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium is O[NH+](O)c1ccc(CN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)cc1.
What is the InChIKey of [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium?
The InChIKey is NRRUVPAQWONDPB-UZLBHIALSA-O. The full InChI is InChI=1S/C20H24N2O2/c23-22(24)19-8-5-15(6-9-19)13-21-14-16-7-10-20(21)12-18-4-2-1-3-17(18)11-16/h1-6,8-9,16,20,23-24H,7,10-14H2/p+1/t16-,20+/m1/s1.
What are the key properties of [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium?
[4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium has a molecular weight of 325.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]methyl]phenyl]-dihydroxyazanium is sourced from PubChem (CID 142819212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).