benzene;N-propan-2-yloxypropan-2-imine

C12H19NO — CID 143617775

IUPACbenzene;N-propan-2-yloxypropan-2-imine
SMILESCC(C)=NOC(C)C.c1ccccc1
InChIInChI=1S/C6H13NO.C6H6/c1-5(2)7-8-6(3)4;1-2-4-6-5-3-1/h6H,1-4H3;1-6H
InChIKeyAXIVPJGZPSXIFV-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.49
Rot. Bonds2

About benzene;N-propan-2-yloxypropan-2-imine

benzene;N-propan-2-yloxypropan-2-imine (PubChem CID 143617775) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is benzene;N-propan-2-yloxypropan-2-imine.

Molecular Properties

Compound Namebenzene;N-propan-2-yloxypropan-2-imine
PubChem CID143617775
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namebenzene;N-propan-2-yloxypropan-2-imine
SMILESCC(C)=NOC(C)C.c1ccccc1
InChIInChI=1S/C6H13NO.C6H6/c1-5(2)7-8-6(3)4;1-2-4-6-5-3-1/h6H,1-4H3;1-6H
InChIKeyAXIVPJGZPSXIFV-UHFFFAOYSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 benzene;N-propan-2-yloxypropan-2-imine?
The IUPAC name of benzene;N-propan-2-yloxypropan-2-imine (CID 143617775) is benzene;N-propan-2-yloxypropan-2-imine.
What is the SMILES notation for benzene;N-propan-2-yloxypropan-2-imine?
The canonical SMILES for benzene;N-propan-2-yloxypropan-2-imine is CC(C)=NOC(C)C.c1ccccc1.
What is the InChIKey of benzene;N-propan-2-yloxypropan-2-imine?
The InChIKey is AXIVPJGZPSXIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C6H6/c1-5(2)7-8-6(3)4;1-2-4-6-5-3-1/h6H,1-4H3;1-6H.
What are the key properties of benzene;N-propan-2-yloxypropan-2-imine?
benzene;N-propan-2-yloxypropan-2-imine has a molecular weight of 193.29 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-propan-2-yloxypropan-2-imine is sourced from PubChem (CID 143617775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).