N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine

C10H13N3 — CID 155085164

IUPACN,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine
SMILESC/N=C1\C=CC2C(=CC=NC2C)N1
InChIInChI=1S/C10H13N3/c1-7-8-3-4-10(11-2)13-9(8)5-6-12-7/h3-8H,1-2H3,(H,11,13)
InChIKeyGHCVVPPGPOMZJG-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.15
Rot. Bonds

About N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine

N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine (PubChem CID 155085164) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine.

Molecular Properties

Compound NameN,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine
PubChem CID155085164
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine
SMILESC/N=C1\C=CC2C(=CC=NC2C)N1
InChIInChI=1S/C10H13N3/c1-7-8-3-4-10(11-2)13-9(8)5-6-12-7/h3-8H,1-2H3,(H,11,13)
InChIKeyGHCVVPPGPOMZJG-UHFFFAOYSA-N
XLogP1.15
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
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 N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine?
The IUPAC name of N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine (CID 155085164) is N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine.
What is the SMILES notation for N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine?
The canonical SMILES for N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine is C/N=C1\C=CC2C(=CC=NC2C)N1.
What is the InChIKey of N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine?
The InChIKey is GHCVVPPGPOMZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-8-3-4-10(11-2)13-9(8)5-6-12-7/h3-8H,1-2H3,(H,11,13).
What are the key properties of N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine?
N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine has a molecular weight of 175.23 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4a,5-dihydro-1H-1,6-naphthyridin-2-imine is sourced from PubChem (CID 155085164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).