(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine

C9H16N2 — CID 170634368

IUPAC(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine
SMILES[H]/N=C/C1=C(C)CCN(CC)C1
InChIInChI=1S/C9H16N2/c1-3-11-5-4-8(2)9(6-10)7-11/h6,10H,3-5,7H2,1-2H3/b10-6+
InChIKeyJPOGBVQLHGNLTK-UXBLZVDNSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds2

About (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine

(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine (PubChem CID 170634368) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine.

Molecular Properties

Compound Name(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine
PubChem CID170634368
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine
SMILES[H]/N=C/C1=C(C)CCN(CC)C1
InChIInChI=1S/C9H16N2/c1-3-11-5-4-8(2)9(6-10)7-11/h6,10H,3-5,7H2,1-2H3/b10-6+
InChIKeyJPOGBVQLHGNLTK-UXBLZVDNSA-N
XLogP1.68
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The IUPAC name of (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine (CID 170634368) is (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine.
What is the SMILES notation for (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The canonical SMILES for (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine is [H]/N=C/C1=C(C)CCN(CC)C1.
What is the InChIKey of (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The InChIKey is JPOGBVQLHGNLTK-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-11-5-4-8(2)9(6-10)7-11/h6,10H,3-5,7H2,1-2H3/b10-6+.
What are the key properties of (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine has a molecular weight of 152.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)methanimine is sourced from PubChem (CID 170634368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).