(Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine

C10H14N2O — CID 5355494

IUPAC(Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine
SMILESCCCO/N=C\c1cccc(C)n1
InChIInChI=1S/C10H14N2O/c1-3-7-13-11-8-10-6-4-5-9(2)12-10/h4-6,8H,3,7H2,1-2H3/b11-8-
InChIKeyRBVMOPOPRHDMHM-FLIBITNWSA-N
MW178.24 g/mol
LogP2.15
Rot. Bonds4

About (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine

(Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine (PubChem CID 5355494) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine.

Molecular Properties

Compound Name(Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine
PubChem CID5355494
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine
SMILESCCCO/N=C\c1cccc(C)n1
InChIInChI=1S/C10H14N2O/c1-3-7-13-11-8-10-6-4-5-9(2)12-10/h4-6,8H,3,7H2,1-2H3/b11-8-
InChIKeyRBVMOPOPRHDMHM-FLIBITNWSA-N
XLogP2.15
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine?
The IUPAC name of (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine (CID 5355494) is (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine.
What is the SMILES notation for (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine?
The canonical SMILES for (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine is CCCO/N=C\c1cccc(C)n1.
What is the InChIKey of (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine?
The InChIKey is RBVMOPOPRHDMHM-FLIBITNWSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-7-13-11-8-10-6-4-5-9(2)12-10/h4-6,8H,3,7H2,1-2H3/b11-8-.
What are the key properties of (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine?
(Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine has a molecular weight of 178.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(6-methyl-2-pyridinyl)-N-propoxymethanimine is sourced from PubChem (CID 5355494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).