N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine

C19H23NO — CID 164930301

IUPACN-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine
SMILESCC(C)(C)CCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2,3)14-15-21-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyYZRRYTSSJYETHU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.89
Rot. Bonds5

About N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine

N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine (PubChem CID 164930301) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine
PubChem CID164930301
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine
SMILESCC(C)(C)CCON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-19(2,3)14-15-21-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyYZRRYTSSJYETHU-UHFFFAOYSA-N
XLogP4.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine?
The IUPAC name of N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine (CID 164930301) is N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine?
The canonical SMILES for N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine is CC(C)(C)CCON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine?
The InChIKey is YZRRYTSSJYETHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,3)14-15-21-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine?
N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine has a molecular weight of 281.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutoxy)-1,1-diphenylmethanimine is sourced from PubChem (CID 164930301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).