8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine

C9H11N3 — CID 137209088

IUPAC8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine
SMILES[H]/N=C1/C=C2C=CNC(C)C2C=N1
InChIInChI=1S/C9H11N3/c1-6-8-5-12-9(10)4-7(8)2-3-11-6/h2-6,8,10-11H,1H3/b10-9-
InChIKeyQTWCJLSIWHBFAE-KTKRTIGZSA-N
MW161.21 g/mol
LogP1.10
Rot. Bonds

About 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine

8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine (PubChem CID 137209088) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine.

Molecular Properties

Compound Name8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine
PubChem CID137209088
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine
SMILES[H]/N=C1/C=C2C=CNC(C)C2C=N1
InChIInChI=1S/C9H11N3/c1-6-8-5-12-9(10)4-7(8)2-3-11-6/h2-6,8,10-11H,1H3/b10-9-
InChIKeyQTWCJLSIWHBFAE-KTKRTIGZSA-N
XLogP1.10
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine?
The IUPAC name of 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine (CID 137209088) is 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine.
What is the SMILES notation for 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine?
The canonical SMILES for 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine is [H]/N=C1/C=C2C=CNC(C)C2C=N1.
What is the InChIKey of 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine?
The InChIKey is QTWCJLSIWHBFAE-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-8-5-12-9(10)4-7(8)2-3-11-6/h2-6,8,10-11H,1H3/b10-9-.
What are the key properties of 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine?
8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine has a molecular weight of 161.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8,8a-dihydro-7H-2,7-naphthyridin-3-imine is sourced from PubChem (CID 137209088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).