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

C8H14N2 — CID 173137642

IUPAC(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
SMILES[H]/N=C/N1CC=C(CC)CC1
InChIInChI=1S/C8H14N2/c1-2-8-3-5-10(7-9)6-4-8/h3,7,9H,2,4-6H2,1H3/b9-7+
InChIKeyGQZVZVRILPZCBD-VQHVLOKHSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds2

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

(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine (PubChem CID 173137642) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine.

Molecular Properties

Compound Name(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
PubChem CID173137642
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine
SMILES[H]/N=C/N1CC=C(CC)CC1
InChIInChI=1S/C8H14N2/c1-2-8-3-5-10(7-9)6-4-8/h3,7,9H,2,4-6H2,1H3/b9-7+
InChIKeyGQZVZVRILPZCBD-VQHVLOKHSA-N
XLogP1.64
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine?
The IUPAC name of (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine (CID 173137642) is (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine.
What is the SMILES notation for (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine?
The canonical SMILES for (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine is [H]/N=C/N1CC=C(CC)CC1.
What is the InChIKey of (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine?
The InChIKey is GQZVZVRILPZCBD-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-8-3-5-10(7-9)6-4-8/h3,7,9H,2,4-6H2,1H3/b9-7+.
What are the key properties of (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine?
(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3,6-dihydro-2H-pyridin-1-yl)methanimine is sourced from PubChem (CID 173137642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).