N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine

C8H12N2 — CID 174336590

IUPACN-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine
SMILESC=NC1=C(CC)CCC=N1
InChIInChI=1S/C8H12N2/c1-3-7-5-4-6-10-8(7)9-2/h6H,2-5H2,1H3
InChIKeyFHNWVFKGNLGYLX-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.17
Rot. Bonds2

About N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine

N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine (PubChem CID 174336590) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine
PubChem CID174336590
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine
SMILESC=NC1=C(CC)CCC=N1
InChIInChI=1S/C8H12N2/c1-3-7-5-4-6-10-8(7)9-2/h6H,2-5H2,1H3
InChIKeyFHNWVFKGNLGYLX-UHFFFAOYSA-N
XLogP2.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Propyl-3,4-dihydropyridine
CID 57125642
N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine
CID 90850042
N-[(Z)-2-ethyl-1-(methylideneamino)pent-1-enyl]-2-methylpropan-1-imine
CID 123171240
5-Methyl-3,4-dihydropyridin-6-amine
CID 143422856
Ethane;6-fluoro-5-methyl-3,4-dihydropyridine
CID 143782199
4-methylidene-5-prop-1-en-2-yl-3H-pyridine
CID 164145258
N,5-diethyl-N-methyl-3,4-dihydropyridin-6-amine;ethane
CID 170628659
2-Ethyl-1-(propylideneamino)pent-1-en-1-amine
CID 174088089
(4R)-5-ethyl-4-methyl-3,4-dihydropyridin-6-amine
CID 174088559
N,5-diethyl-N-methyl-3,4-dihydropyridin-6-amine
CID 170628660

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine?
The IUPAC name of N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine (CID 174336590) is N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine.
What is the SMILES notation for N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine?
The canonical SMILES for N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine is C=NC1=C(CC)CCC=N1.
What is the InChIKey of N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine?
The InChIKey is FHNWVFKGNLGYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7-5-4-6-10-8(7)9-2/h6H,2-5H2,1H3.
What are the key properties of N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine?
N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine has a molecular weight of 136.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3,4-dihydropyridin-6-yl)methanimine is sourced from PubChem (CID 174336590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).