1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane

C24H33NO — CID 145272355

IUPAC1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane
SMILESC=C(CN=C(c1ccc(C)cc1)c1ccc(C)cc1)OC(C)(C)C.CC
InChIInChI=1S/C22H27NO.C2H6/c1-16-7-11-19(12-8-16)21(20-13-9-17(2)10-14-20)23-15-18(3)24-22(4,5)6;1-2/h7-14H,3,15H2,1-2,4-6H3;1-2H3
InChIKeyRCEIWCSWDWSCKB-UHFFFAOYSA-N
MW351.53 g/mol
LogP6.50
Rot. Bonds5

About 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane

1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane (PubChem CID 145272355) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane.

Molecular Properties

Compound Name1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane
PubChem CID145272355
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane
SMILESC=C(CN=C(c1ccc(C)cc1)c1ccc(C)cc1)OC(C)(C)C.CC
InChIInChI=1S/C22H27NO.C2H6/c1-16-7-11-19(12-8-16)21(20-13-9-17(2)10-14-20)23-15-18(3)24-22(4,5)6;1-2/h7-14H,3,15H2,1-2,4-6H3;1-2H3
InChIKeyRCEIWCSWDWSCKB-UHFFFAOYSA-N
XLogP6.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane?
The IUPAC name of 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane (CID 145272355) is 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane.
What is the SMILES notation for 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane?
The canonical SMILES for 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane is C=C(CN=C(c1ccc(C)cc1)c1ccc(C)cc1)OC(C)(C)C.CC.
What is the InChIKey of 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane?
The InChIKey is RCEIWCSWDWSCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO.C2H6/c1-16-7-11-19(12-8-16)21(20-13-9-17(2)10-14-20)23-15-18(3)24-22(4,5)6;1-2/h7-14H,3,15H2,1-2,4-6H3;1-2H3.
What are the key properties of 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane?
1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane has a molecular weight of 351.53 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]prop-2-enyl]methanimine;ethane is sourced from PubChem (CID 145272355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).