4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine

C91H102N10O3 — CID 159189800

IUPAC4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
SMILESC(=N/C1CCCCC1)\c1ccccn1.C(=N/C1CCCc2ccccc21)\c1ccccn1.CC(C)(C)c1cccc(-c2cc(C(C)(C)C)ccn2)c1.COc1cccc(-c2cc(OC)ccn2)c1.C[C@H]1N=C(c2ccccn2)O[C@H]1c1ccccc1.Cc1cccc(C(C)C)c1/N=C/c1ccccn1
InChIInChI=1S/C19H25N.C16H16N2.C16H18N2.C15H14N2O.C13H13NO2.C12H16N2/c1-18(2,3)15-9-7-8-14(12-15)17-13-16(10-11-20-17)19(4,5)6;1-2-9-15-13(6-1)7-5-10-16(15)18-12-14-8-3-4-11-17-14;1-12(2)15-9-6-7-13(3)16(15)18-11-14-8-4-5-10-17-14;1-11-14(12-7-3-2-4-8-12)18-15(17-11)13-9-5-6-10-16-13;1-15-11-5-3-4-10(8-11)13-9-12(16-2)6-7-14-13;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h7-13H,1-6H3;1-4,6,8-9,11-12,16H,5,7,10H2;4-12H,1-3H3;2-11,14H,1H3;3-9H,1-2H3;4-5,8-11H,1-3,6-7H2/b;18-12+;18-11+;;;14-10+/t;;;11-,14-;;/m...1../s1
InChIKeyKNYDWRRBSAHNPM-ZNAIBIHUSA-N
MW1383.88 g/mol
LogP21.77
Rot. Bonds13

About 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine

4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine (PubChem CID 159189800) has the molecular formula C91H102N10O3 and a molecular weight of 1383.88 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine.

Molecular Properties

Compound Name4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
PubChem CID159189800
Molecular FormulaC91H102N10O3
Molecular Weight1383.88 g/mol
Exact Mass1382.81
IUPAC Name4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
SMILESC(=N/C1CCCCC1)\c1ccccn1.C(=N/C1CCCc2ccccc21)\c1ccccn1.CC(C)(C)c1cccc(-c2cc(C(C)(C)C)ccn2)c1.COc1cccc(-c2cc(OC)ccn2)c1.C[C@H]1N=C(c2ccccn2)O[C@H]1c1ccccc1.Cc1cccc(C(C)C)c1/N=C/c1ccccn1
InChIInChI=1S/C19H25N.C16H16N2.C16H18N2.C15H14N2O.C13H13NO2.C12H16N2/c1-18(2,3)15-9-7-8-14(12-15)17-13-16(10-11-20-17)19(4,5)6;1-2-9-15-13(6-1)7-5-10-16(15)18-12-14-8-3-4-11-17-14;1-12(2)15-9-6-7-13(3)16(15)18-11-14-8-4-5-10-17-14;1-11-14(12-7-3-2-4-8-12)18-15(17-11)13-9-5-6-10-16-13;1-15-11-5-3-4-10(8-11)13-9-12(16-2)6-7-14-13;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h7-13H,1-6H3;1-4,6,8-9,11-12,16H,5,7,10H2;4-12H,1-3H3;2-11,14H,1H3;3-9H,1-2H3;4-5,8-11H,1-3,6-7H2/b;18-12+;18-11+;;;14-10+/t;;;11-,14-;;/m...1../s1
InChIKeyKNYDWRRBSAHNPM-ZNAIBIHUSA-N
XLogP21.77
TPSA154.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001383.88
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine?
The IUPAC name of 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine (CID 159189800) is 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine.
What is the SMILES notation for 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine?
The canonical SMILES for 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine is C(=N/C1CCCCC1)\c1ccccn1.C(=N/C1CCCc2ccccc21)\c1ccccn1.CC(C)(C)c1cccc(-c2cc(C(C)(C)C)ccn2)c1.COc1cccc(-c2cc(OC)ccn2)c1.C[C@H]1N=C(c2ccccn2)O[C@H]1c1ccccc1.Cc1cccc(C(C)C)c1/N=C/c1ccccn1.
What is the InChIKey of 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine?
The InChIKey is KNYDWRRBSAHNPM-ZNAIBIHUSA-N. The full InChI is InChI=1S/C19H25N.C16H16N2.C16H18N2.C15H14N2O.C13H13NO2.C12H16N2/c1-18(2,3)15-9-7-8-14(12-15)17-13-16(10-11-20-17)19(4,5)6;1-2-9-15-13(6-1)7-5-10-16(15)18-12-14-8-3-4-11-17-14;1-12(2)15-9-6-7-13(3)16(15)18-11-14-8-4-5-10-17-14;1-11-14(12-7-3-2-4-8-12)18-15(17-11)13-9-5-6-10-16-13;1-15-11-5-3-4-10(8-11)13-9-12(16-2)6-7-14-13;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h7-13H,1-6H3;1-4,6,8-9,11-12,16H,5,7,10H2;4-12H,1-3H3;2-11,14H,1H3;3-9H,1-2H3;4-5,8-11H,1-3,6-7H2/b;18-12+;18-11+;;;14-10+/t;;;11-,14-;;/m...1../s1.
What are the key properties of 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine?
4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine has a molecular weight of 1383.88 g/mol, XLogP of 21.77, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-tert-butylphenyl)pyridine;N-cyclohexyl-1-pyridin-2-ylmethanimine;4-methoxy-2-(3-methoxyphenyl)pyridine;(4R,5S)-4-methyl-5-phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole;N-(2-methyl-6-propan-2-ylphenyl)-1-pyridin-2-ylmethanimine;1-pyridin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine is sourced from PubChem (CID 159189800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).