(Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine

C18H23NO — CID 101138955

IUPAC(Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine
SMILESC(=N\OCc1ccccc1)\C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO/c1-2-4-14(5-3-1)12-20-19-13-18-9-15-6-16(10-18)8-17(7-15)11-18/h1-5,13,15-17H,6-12H2/b19-13-
InChIKeyBHZMZXOPLOPAAG-UYRXBGFRSA-N
MW269.39 g/mol
LogP4.41
Rot. Bonds4

About (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine

(Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine (PubChem CID 101138955) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine
PubChem CID101138955
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine
SMILESC(=N\OCc1ccccc1)\C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO/c1-2-4-14(5-3-1)12-20-19-13-18-9-15-6-16(10-18)8-17(7-15)11-18/h1-5,13,15-17H,6-12H2/b19-13-
InChIKeyBHZMZXOPLOPAAG-UYRXBGFRSA-N
XLogP4.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)-N-[(4-fluorophenyl)methoxy]-1-phenyl-methanimine
CID 9579227
4-Cyclohexyl-5-phenyl-4,5-dihydroisoxazole
CID 91719300
(E)-N-phenylmethoxy-1-(2-phenylphenyl)methanimine
CID 56678914
(E)-1-[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]-N-[(4-fluorophenyl)methoxy]methanimine
CID 58330098
(E)-1-[(1R,4aR,7S)-7-iodo-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]-N-[(4-fluorophenyl)methoxy]methanimine
CID 87087203
1-[(1S,4aS,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]-N-[(4-fluorophenyl)methoxy]methanimine
CID 87211227
(E)-1-[(1S,4aS,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]-N-[(4-fluorophenyl)methoxy]methanimine
CID 88898160
(E)-1-[(1R,4aR,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]-N-[(4-fluorophenyl)methoxy]methanimine
CID 88916025
(E)-N-[(4-fluorophenyl)methoxy]-1-[(1R,3R)-3-[(4S)-4-iodo-4-methyl-6-propylcyclohexen-1-yl]-1,3-dimethylcyclohexyl]methanimine
CID 88975083
1-[(1R,4aR,7S,8aS,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]-N-[(4-fluorophenyl)methoxy]methanimine
CID 91598865
1-[(1R,4aR,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]-N-[(4-fluorophenyl)methoxy]methanimine
CID 123423516
1-(1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-yl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 173003339

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine?
The IUPAC name of (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine (CID 101138955) is (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine.
What is the SMILES notation for (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine?
The canonical SMILES for (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine is C(=N\OCc1ccccc1)\C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine?
The InChIKey is BHZMZXOPLOPAAG-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-4-14(5-3-1)12-20-19-13-18-9-15-6-16(10-18)8-17(7-15)11-18/h1-5,13,15-17H,6-12H2/b19-13-.
What are the key properties of (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine?
(Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine has a molecular weight of 269.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-adamantyl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 101138955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).