(E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine

C22H25N5O — CID 46501384

IUPAC(E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
SMILESCOc1cccc(/C=N/N=C(/c2ccccc2)C23CN4CN(CN(C4)C2)C3)c1
InChIInChI=1S/C22H25N5O/c1-28-20-9-5-6-18(10-20)11-23-24-21(19-7-3-2-4-8-19)22-12-25-15-26(13-22)17-27(14-22)16-25/h2-11H,12-17H2,1H3/b23-11+,24-21-
InChIKeyXDTQABDXBCFVLT-VLFOJNRWSA-N
MW375.48 g/mol
LogP2.32
Rot. Bonds5

About (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine

(E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine (PubChem CID 46501384) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
PubChem CID46501384
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
SMILESCOc1cccc(/C=N/N=C(/c2ccccc2)C23CN4CN(CN(C4)C2)C3)c1
InChIInChI=1S/C22H25N5O/c1-28-20-9-5-6-18(10-20)11-23-24-21(19-7-3-2-4-8-19)22-12-25-15-26(13-22)17-27(14-22)16-25/h2-11H,12-17H2,1H3/b23-11+,24-21-
InChIKeyXDTQABDXBCFVLT-VLFOJNRWSA-N
XLogP2.32
TPSA43.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol
CID 171138102
1,2-bis[(E)-(3-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 86279917
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524945
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
(3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium
CID 173204840

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine?
The IUPAC name of (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine (CID 46501384) is (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine?
The canonical SMILES for (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine is COc1cccc(/C=N/N=C(/c2ccccc2)C23CN4CN(CN(C4)C2)C3)c1.
What is the InChIKey of (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine?
The InChIKey is XDTQABDXBCFVLT-VLFOJNRWSA-N. The full InChI is InChI=1S/C22H25N5O/c1-28-20-9-5-6-18(10-20)11-23-24-21(19-7-3-2-4-8-19)22-12-25-15-26(13-22)17-27(14-22)16-25/h2-11H,12-17H2,1H3/b23-11+,24-21-.
What are the key properties of (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine?
(E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine has a molecular weight of 375.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(3-methoxyphenyl)methylideneamino]-1-phenyl-1-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine is sourced from PubChem (CID 46501384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).