7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol

C23H23N3O — CID 155032878

IUPAC7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
SMILESNc1ccc(/N=C/c2cc3c4c(c2O)CCCN4CCC3)c2ccccc12
InChIInChI=1S/C23H23N3O/c24-20-9-10-21(18-7-2-1-6-17(18)20)25-14-16-13-15-5-3-11-26-12-4-8-19(22(15)26)23(16)27/h1-2,6-7,9-10,13-14,27H,3-5,8,11-12,24H2/b25-14+
InChIKeyXFTURTPQUGXDBM-AFUMVMLFSA-N
MW357.46 g/mol
LogP4.58
Rot. Bonds2

About 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol

7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol (PubChem CID 155032878) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol.

Molecular Properties

Compound Name7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
PubChem CID155032878
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
SMILESNc1ccc(/N=C/c2cc3c4c(c2O)CCCN4CCC3)c2ccccc12
InChIInChI=1S/C23H23N3O/c24-20-9-10-21(18-7-2-1-6-17(18)20)25-14-16-13-15-5-3-11-26-12-4-8-19(22(15)26)23(16)27/h1-2,6-7,9-10,13-14,27H,3-5,8,11-12,24H2/b25-14+
InChIKeyXFTURTPQUGXDBM-AFUMVMLFSA-N
XLogP4.58
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol?
The IUPAC name of 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol (CID 155032878) is 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol.
What is the SMILES notation for 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol?
The canonical SMILES for 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol is Nc1ccc(/N=C/c2cc3c4c(c2O)CCCN4CCC3)c2ccccc12.
What is the InChIKey of 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol?
The InChIKey is XFTURTPQUGXDBM-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H23N3O/c24-20-9-10-21(18-7-2-1-6-17(18)20)25-14-16-13-15-5-3-11-26-12-4-8-19(22(15)26)23(16)27/h1-2,6-7,9-10,13-14,27H,3-5,8,11-12,24H2/b25-14+.
What are the key properties of 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol?
7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol has a molecular weight of 357.46 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-aminonaphthalen-1-yl)iminomethyl]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol is sourced from PubChem (CID 155032878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).