1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine

C15H20N4O — CID 835854

IUPAC1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
SMILESCOc1ccc(/C=N/C23CN4CN(CN(C4)C2)C3)cc1
InChIInChI=1S/C15H20N4O/c1-20-14-4-2-13(3-5-14)6-16-15-7-17-10-18(8-15)12-19(9-15)11-17/h2-6H,7-12H2,1H3/b16-6+
InChIKeyLJCHJHMJGJLJRG-OMCISZLKSA-N
MW272.35 g/mol
LogP0.67
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine

1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine (PubChem CID 835854) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
PubChem CID835854
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine
SMILESCOc1ccc(/C=N/C23CN4CN(CN(C4)C2)C3)cc1
InChIInChI=1S/C15H20N4O/c1-20-14-4-2-13(3-5-14)6-16-15-7-17-10-18(8-15)12-19(9-15)11-17/h2-6H,7-12H2,1H3/b16-6+
InChIKeyLJCHJHMJGJLJRG-OMCISZLKSA-N
XLogP0.67
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
(NE)-N-[(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 11557754
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 759377
1-(4-methoxyphenyl)-N-[(1R,2R)-2-[(4-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11348682
1-(4-methoxyphenyl)-N-prop-1-enylmethanimine
CID 73167475
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
1-(4-methoxyphenyl)-N-triethylsilylmethanimine
CID 122380757

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine (CID 835854) is 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine is COc1ccc(/C=N/C23CN4CN(CN(C4)C2)C3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine?
The InChIKey is LJCHJHMJGJLJRG-OMCISZLKSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-14-4-2-13(3-5-14)6-16-15-7-17-10-18(8-15)12-19(9-15)11-17/h2-6H,7-12H2,1H3/b16-6+.
What are the key properties of 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine?
1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine has a molecular weight of 272.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine is sourced from PubChem (CID 835854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).