(Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine

C9H16N2O — CID 11819427

IUPAC(Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine
SMILESCC(C)O/N=C1\CN2CCC1C2
InChIInChI=1S/C9H16N2O/c1-7(2)12-10-9-6-11-4-3-8(9)5-11/h7-8H,3-6H2,1-2H3/b10-9+
InChIKeyZFAMTDWBRCFPHP-MDZDMXLPSA-N
MW168.24 g/mol
LogP1.10
Rot. Bonds2

About (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine

(Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine (PubChem CID 11819427) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine.

Molecular Properties

Compound Name(Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine
PubChem CID11819427
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine
SMILESCC(C)O/N=C1\CN2CCC1C2
InChIInChI=1S/C9H16N2O/c1-7(2)12-10-9-6-11-4-3-8(9)5-11/h7-8H,3-6H2,1-2H3/b10-9+
InChIKeyZFAMTDWBRCFPHP-MDZDMXLPSA-N
XLogP1.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine?
The IUPAC name of (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine (CID 11819427) is (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine.
What is the SMILES notation for (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine?
The canonical SMILES for (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine is CC(C)O/N=C1\CN2CCC1C2.
What is the InChIKey of (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine?
The InChIKey is ZFAMTDWBRCFPHP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)12-10-9-6-11-4-3-8(9)5-11/h7-8H,3-6H2,1-2H3/b10-9+.
What are the key properties of (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine?
(Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine has a molecular weight of 168.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propan-2-yloxy-1-azabicyclo[2.2.1]heptan-3-imine is sourced from PubChem (CID 11819427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).