(Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine

C12H18N2O — CID 5355485

IUPAC(Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine
SMILESCc1cccc(/C=N\OCCC(C)C)n1
InChIInChI=1S/C12H18N2O/c1-10(2)7-8-15-13-9-12-6-4-5-11(3)14-12/h4-6,9-10H,7-8H2,1-3H3/b13-9-
InChIKeyNDDRFVVJLAAPDP-LCYFTJDESA-N
MW206.29 g/mol
LogP2.79
Rot. Bonds5

About (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine

(Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine (PubChem CID 5355485) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine
PubChem CID5355485
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine
SMILESCc1cccc(/C=N\OCCC(C)C)n1
InChIInChI=1S/C12H18N2O/c1-10(2)7-8-15-13-9-12-6-4-5-11(3)14-12/h4-6,9-10H,7-8H2,1-3H3/b13-9-
InChIKeyNDDRFVVJLAAPDP-LCYFTJDESA-N
XLogP2.79
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.79
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)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine?
The IUPAC name of (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine (CID 5355485) is (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine.
What is the SMILES notation for (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine?
The canonical SMILES for (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine is Cc1cccc(/C=N\OCCC(C)C)n1.
What is the InChIKey of (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine?
The InChIKey is NDDRFVVJLAAPDP-LCYFTJDESA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(2)7-8-15-13-9-12-6-4-5-11(3)14-12/h4-6,9-10H,7-8H2,1-3H3/b13-9-.
What are the key properties of (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine?
(Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine has a molecular weight of 206.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-methylbutoxy)-1-(6-methyl-2-pyridinyl)methanimine is sourced from PubChem (CID 5355485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).