(Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine

C11H16N2O — CID 5355487

IUPAC(Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine
SMILESCC(C)CCO/N=C\c1cccnc1
InChIInChI=1S/C11H16N2O/c1-10(2)5-7-14-13-9-11-4-3-6-12-8-11/h3-4,6,8-10H,5,7H2,1-2H3/b13-9-
InChIKeyCNGQUYBZXYJBMD-LCYFTJDESA-N
MW192.26 g/mol
LogP2.48
Rot. Bonds5

About (Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine

(Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine (PubChem CID 5355487) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound Name(Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine
PubChem CID5355487
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine
SMILESCC(C)CCO/N=C\c1cccnc1
InChIInChI=1S/C11H16N2O/c1-10(2)5-7-14-13-9-11-4-3-6-12-8-11/h3-4,6,8-10H,5,7H2,1-2H3/b13-9-
InChIKeyCNGQUYBZXYJBMD-LCYFTJDESA-N
XLogP2.48
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.48
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-pyridin-3-ylmethanimine?
The IUPAC name of (Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine (CID 5355487) is (Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for (Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine?
The canonical SMILES for (Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine is CC(C)CCO/N=C\c1cccnc1.
What is the InChIKey of (Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine?
The InChIKey is CNGQUYBZXYJBMD-LCYFTJDESA-N. The full InChI is InChI=1S/C11H16N2O/c1-10(2)5-7-14-13-9-11-4-3-6-12-8-11/h3-4,6,8-10H,5,7H2,1-2H3/b13-9-.
What are the key properties of (Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine?
(Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine has a molecular weight of 192.26 g/mol, XLogP of 2.48, 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-pyridin-3-ylmethanimine is sourced from PubChem (CID 5355487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).