N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine

C15H23N — CID 177288460

IUPACN-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/c1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H23N/c1-14(2,3)11-16-13-9-7-8-12(10-13)15(4,5)6/h7-11H,1-6H3/b16-11+
InChIKeyYCJQXRMJGNOFAJ-LFIBNONCSA-N
MW217.36 g/mol
LogP4.73
Rot. Bonds1

About N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine

N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine (PubChem CID 177288460) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine
PubChem CID177288460
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/c1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H23N/c1-14(2,3)11-16-13-9-7-8-12(10-13)15(4,5)6/h7-11H,1-6H3/b16-11+
InChIKeyYCJQXRMJGNOFAJ-LFIBNONCSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine?
The IUPAC name of N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine (CID 177288460) is N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine is CC(C)(C)/C=N/c1cccc(C(C)(C)C)c1.
What is the InChIKey of N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine?
The InChIKey is YCJQXRMJGNOFAJ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H23N/c1-14(2,3)11-16-13-9-7-8-12(10-13)15(4,5)6/h7-11H,1-6H3/b16-11+.
What are the key properties of N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine?
N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 177288460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).