(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine

C9H16N2O — CID 14326929

IUPAC(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
SMILESCC/C(=N\OC)C1=CCCNC1
InChIInChI=1S/C9H16N2O/c1-3-9(11-12-2)8-5-4-6-10-7-8/h5,10H,3-4,6-7H2,1-2H3/b11-9+
InChIKeyRJAADGGMBVHEMP-PKNBQFBNSA-N
MW168.24 g/mol
LogP1.32
Rot. Bonds3

About (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine

(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine (PubChem CID 14326929) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
PubChem CID14326929
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
SMILESCC/C(=N\OC)C1=CCCNC1
InChIInChI=1S/C9H16N2O/c1-3-9(11-12-2)8-5-4-6-10-7-8/h5,10H,3-4,6-7H2,1-2H3/b11-9+
InChIKeyRJAADGGMBVHEMP-PKNBQFBNSA-N
XLogP1.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
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 (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine?
The IUPAC name of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine (CID 14326929) is (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine.
What is the SMILES notation for (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine?
The canonical SMILES for (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine is CC/C(=N\OC)C1=CCCNC1.
What is the InChIKey of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine?
The InChIKey is RJAADGGMBVHEMP-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(11-12-2)8-5-4-6-10-7-8/h5,10H,3-4,6-7H2,1-2H3/b11-9+.
What are the key properties of (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine?
(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine has a molecular weight of 168.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine is sourced from PubChem (CID 14326929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).