N-benzyl-1-propan-2-yloxypropan-2-imine

C13H19NO — CID 167562432

IUPACN-benzyl-1-propan-2-yloxypropan-2-imine
SMILESC/C(COC(C)C)=N\Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)15-10-12(3)14-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b14-12+
InChIKeyRSPGRSYCQVTXKA-WYMLVPIESA-N
MW205.30 g/mol
LogP3.07
Rot. Bonds5

About N-benzyl-1-propan-2-yloxypropan-2-imine

N-benzyl-1-propan-2-yloxypropan-2-imine (PubChem CID 167562432) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyl-1-propan-2-yloxypropan-2-imine.

Molecular Properties

Compound NameN-benzyl-1-propan-2-yloxypropan-2-imine
PubChem CID167562432
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyl-1-propan-2-yloxypropan-2-imine
SMILESC/C(COC(C)C)=N\Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)15-10-12(3)14-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b14-12+
InChIKeyRSPGRSYCQVTXKA-WYMLVPIESA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-benzyl-1-propan-2-yloxypropan-2-imine?
The IUPAC name of N-benzyl-1-propan-2-yloxypropan-2-imine (CID 167562432) is N-benzyl-1-propan-2-yloxypropan-2-imine.
What is the SMILES notation for N-benzyl-1-propan-2-yloxypropan-2-imine?
The canonical SMILES for N-benzyl-1-propan-2-yloxypropan-2-imine is C/C(COC(C)C)=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-1-propan-2-yloxypropan-2-imine?
The InChIKey is RSPGRSYCQVTXKA-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)15-10-12(3)14-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/b14-12+.
What are the key properties of N-benzyl-1-propan-2-yloxypropan-2-imine?
N-benzyl-1-propan-2-yloxypropan-2-imine has a molecular weight of 205.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-propan-2-yloxypropan-2-imine is sourced from PubChem (CID 167562432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).