(1-propyl-2H-pyridin-6-yl)methanimine

C9H14N2 — CID 90976565

IUPAC(1-propyl-2H-pyridin-6-yl)methanimine
SMILES[H]/N=C/C1=CC=CCN1CCC
InChIInChI=1S/C9H14N2/c1-2-6-11-7-4-3-5-9(11)8-10/h3-5,8,10H,2,6-7H2,1H3/b10-8+
InChIKeyNEMIJAZTJDWPSG-CSKARUKUSA-N
MW150.22 g/mol
LogP1.80
Rot. Bonds3

About (1-propyl-2H-pyridin-6-yl)methanimine

(1-propyl-2H-pyridin-6-yl)methanimine (PubChem CID 90976565) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (1-propyl-2H-pyridin-6-yl)methanimine.

Molecular Properties

Compound Name(1-propyl-2H-pyridin-6-yl)methanimine
PubChem CID90976565
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(1-propyl-2H-pyridin-6-yl)methanimine
SMILES[H]/N=C/C1=CC=CCN1CCC
InChIInChI=1S/C9H14N2/c1-2-6-11-7-4-3-5-9(11)8-10/h3-5,8,10H,2,6-7H2,1H3/b10-8+
InChIKeyNEMIJAZTJDWPSG-CSKARUKUSA-N
XLogP1.80
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.80
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-propyl-2H-pyridin-6-yl)methanimine?
The IUPAC name of (1-propyl-2H-pyridin-6-yl)methanimine (CID 90976565) is (1-propyl-2H-pyridin-6-yl)methanimine.
What is the SMILES notation for (1-propyl-2H-pyridin-6-yl)methanimine?
The canonical SMILES for (1-propyl-2H-pyridin-6-yl)methanimine is [H]/N=C/C1=CC=CCN1CCC.
What is the InChIKey of (1-propyl-2H-pyridin-6-yl)methanimine?
The InChIKey is NEMIJAZTJDWPSG-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-6-11-7-4-3-5-9(11)8-10/h3-5,8,10H,2,6-7H2,1H3/b10-8+.
What are the key properties of (1-propyl-2H-pyridin-6-yl)methanimine?
(1-propyl-2H-pyridin-6-yl)methanimine has a molecular weight of 150.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyl-2H-pyridin-6-yl)methanimine is sourced from PubChem (CID 90976565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).