N-propan-2-yloxypropan-2-imine

C6H13NO — CID 12696236

IUPACN-propan-2-yloxypropan-2-imine
SMILESCC(C)=NOC(C)C
InChIInChI=1S/C6H13NO/c1-5(2)7-8-6(3)4/h6H,1-4H3
InChIKeyLHEAKOCZFQCLGM-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.81
Rot. Bonds2

About N-propan-2-yloxypropan-2-imine

N-propan-2-yloxypropan-2-imine (PubChem CID 12696236) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-propan-2-yloxypropan-2-imine.

Molecular Properties

Compound NameN-propan-2-yloxypropan-2-imine
PubChem CID12696236
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-propan-2-yloxypropan-2-imine
SMILESCC(C)=NOC(C)C
InChIInChI=1S/C6H13NO/c1-5(2)7-8-6(3)4/h6H,1-4H3
InChIKeyLHEAKOCZFQCLGM-UHFFFAOYSA-N
XLogP1.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.81
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 N-propan-2-yloxypropan-2-imine?
The IUPAC name of N-propan-2-yloxypropan-2-imine (CID 12696236) is N-propan-2-yloxypropan-2-imine.
What is the SMILES notation for N-propan-2-yloxypropan-2-imine?
The canonical SMILES for N-propan-2-yloxypropan-2-imine is CC(C)=NOC(C)C.
What is the InChIKey of N-propan-2-yloxypropan-2-imine?
The InChIKey is LHEAKOCZFQCLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)7-8-6(3)4/h6H,1-4H3.
What are the key properties of N-propan-2-yloxypropan-2-imine?
N-propan-2-yloxypropan-2-imine has a molecular weight of 115.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxypropan-2-imine is sourced from PubChem (CID 12696236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).