(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine

C10H18N2O — CID 58575739

IUPAC(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
SMILESCC/C(=N\OC)C1=CCN(C)CC1
InChIInChI=1S/C10H18N2O/c1-4-10(11-13-3)9-5-7-12(2)8-6-9/h5H,4,6-8H2,1-3H3/b11-10+
InChIKeyLLKPCGVDAGTDGM-ZHACJKMWSA-N
MW182.27 g/mol
LogP1.66
Rot. Bonds3

About (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine

(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine (PubChem CID 58575739) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
PubChem CID58575739
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
SMILESCC/C(=N\OC)C1=CCN(C)CC1
InChIInChI=1S/C10H18N2O/c1-4-10(11-13-3)9-5-7-12(2)8-6-9/h5H,4,6-8H2,1-3H3/b11-10+
InChIKeyLLKPCGVDAGTDGM-ZHACJKMWSA-N
XLogP1.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.66
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 (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine?
The IUPAC name of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine (CID 58575739) is (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine.
What is the SMILES notation for (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine?
The canonical SMILES for (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine is CC/C(=N\OC)C1=CCN(C)CC1.
What is the InChIKey of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine?
The InChIKey is LLKPCGVDAGTDGM-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-10(11-13-3)9-5-7-12(2)8-6-9/h5H,4,6-8H2,1-3H3/b11-10+.
What are the key properties of (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine?
(E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine has a molecular weight of 182.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine is sourced from PubChem (CID 58575739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).