2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine

C11H16N2 — CID 163562000

IUPAC2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine
SMILESCCC1=C(C)CC2C=CCN=C2N1
InChIInChI=1S/C11H16N2/c1-3-10-8(2)7-9-5-4-6-12-11(9)13-10/h4-5,9H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyFRZQMKZVBLUIAM-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.25
Rot. Bonds1

About 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine

2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine (PubChem CID 163562000) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine
PubChem CID163562000
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine
SMILESCCC1=C(C)CC2C=CCN=C2N1
InChIInChI=1S/C11H16N2/c1-3-10-8(2)7-9-5-4-6-12-11(9)13-10/h4-5,9H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyFRZQMKZVBLUIAM-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6,7-Trimethyl-1,4,5,6,7,8-hexahydroquinazoline
CID 53948556
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
2-ethyl-3a,9b-dihydro-1H-perimidine
CID 89636943
N-(1-cyclopropylidene-3-methylpentyl)-2,3-dihydropyridin-6-amine
CID 123649739
N-ethyl-6-methyl-1,2,4a,5-tetrahydroquinazolin-4-amine
CID 137428287
N-ethyl-3,4,5,6-tetrahydro-1H-quinolin-2-imine
CID 141844245
8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
CID 143224706
ethane;5-methyl-1a,4,7,7b-tetrahydro-1H-cyclopropa[f]quinazoline
CID 144041215
ethene;2-methyl-4-methylidene-5,6-dihydro-3H-quinazoline;prop-1-ene
CID 145693896
(3R,5S)-N-[4-(aminomethyl)-5-propan-2-ylcyclohexa-1,3-dien-1-yl]-3,5-dimethyl-2,3,4,5-tetrahydropyridin-6-amine
CID 163530954
2-Methyl-1,4,4a,5,6,7-hexahydro-1,8-naphthyridine
CID 166805466
(3R)-5-ethenyl-3,6-dimethyl-N-[(1E,3Z)-4-methylcycloocta-1,3,6-trien-1-yl]-3,4-dihydropyridin-2-amine
CID 173961381

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine (CID 163562000) is 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine is CCC1=C(C)CC2C=CCN=C2N1.
What is the InChIKey of 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine?
The InChIKey is FRZQMKZVBLUIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-10-8(2)7-9-5-4-6-12-11(9)13-10/h4-5,9H,3,6-7H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine?
2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine has a molecular weight of 176.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1,4,4a,7-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 163562000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).