1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine

C13H19N3 — CID 123420524

IUPAC1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine
SMILES[H]/N=C(\C)C1=NC2=C(CC1CC)C(C)CN=C2
InChIInChI=1S/C13H19N3/c1-4-10-5-11-8(2)6-15-7-12(11)16-13(10)9(3)14/h7-8,10,14H,4-6H2,1-3H3/b14-9+
InChIKeyGCNSFKBKARURAT-NTEUORMPSA-N
MW217.32 g/mol
LogP2.87
Rot. Bonds2

About 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine

1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine (PubChem CID 123420524) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine.

Molecular Properties

Compound Name1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine
PubChem CID123420524
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine
SMILES[H]/N=C(\C)C1=NC2=C(CC1CC)C(C)CN=C2
InChIInChI=1S/C13H19N3/c1-4-10-5-11-8(2)6-15-7-12(11)16-13(10)9(3)14/h7-8,10,14H,4-6H2,1-3H3/b14-9+
InChIKeyGCNSFKBKARURAT-NTEUORMPSA-N
XLogP2.87
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-(methyliminomethyl)cyclohexen-1-amine
CID 89041577
4-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 89313200
(2Z)-4-methyl-2-(2-propylcyclohexylidene)-4,5-dihydro-3H-pyridine
CID 91043053
3-Ethyl-6,7-dimethyl-3,4-dihydroazepin-5-imine
CID 123161081
4-(3-Methylhexan-2-ylidene)-2,3-dihydropyridin-5-imine
CID 123823045
3,3,4,7,8-pentamethyl-4,4a,5,6,7,8-hexahydro-2H-1,10-phenanthroline
CID 123944889
4,5,6,7-tetrahydro-3H-quinolin-8-imine
CID 134463793
1-(3,4,5,6,7,8-hexahydroquinolin-8-yl)-N-methylmethanimine
CID 134463819
1-[2-(Ethylideneamino)cyclohexen-1-yl]pentan-1-imine
CID 141889859
Ethane;3,4,5,6,7,8-hexahydroquinoline-8-carbonitrile
CID 142549073
8-Methyl-3,4,5,6,7,8-hexahydroquinoline
CID 143913712
(Z)-1-[(7S)-2,3,5,6,7,8-hexahydroquinolin-7-yl]but-2-en-2-amine
CID 145595982

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine?
The IUPAC name of 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine (CID 123420524) is 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine.
What is the SMILES notation for 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine?
The canonical SMILES for 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine is [H]/N=C(\C)C1=NC2=C(CC1CC)C(C)CN=C2.
What is the InChIKey of 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine?
The InChIKey is GCNSFKBKARURAT-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-10-5-11-8(2)6-15-7-12(11)16-13(10)9(3)14/h7-8,10,14H,4-6H2,1-3H3/b14-9+.
What are the key properties of 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine?
1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine has a molecular weight of 217.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-methyl-3,4,5,6-tetrahydro-1,7-naphthyridin-2-yl)ethanimine is sourced from PubChem (CID 123420524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).