7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine

C10H16N2 — CID 67562135

IUPAC7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine
SMILESCC1=NC2(C)NCCCC2C=C1
InChIInChI=1S/C10H16N2/c1-8-5-6-9-4-3-7-11-10(9,2)12-8/h5-6,9,11H,3-4,7H2,1-2H3
InChIKeyHVHVLPAGBBSJPC-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.73
Rot. Bonds

About 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine

7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine (PubChem CID 67562135) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine
PubChem CID67562135
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine
SMILESCC1=NC2(C)NCCCC2C=C1
InChIInChI=1S/C10H16N2/c1-8-5-6-9-4-3-7-11-10(9,2)12-8/h5-6,9,11H,3-4,7H2,1-2H3
InChIKeyHVHVLPAGBBSJPC-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine?
The IUPAC name of 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine (CID 67562135) is 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine.
What is the SMILES notation for 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine?
The canonical SMILES for 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine is CC1=NC2(C)NCCCC2C=C1.
What is the InChIKey of 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine?
The InChIKey is HVHVLPAGBBSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-5-6-9-4-3-7-11-10(9,2)12-8/h5-6,9,11H,3-4,7H2,1-2H3.
What are the key properties of 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine?
7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine has a molecular weight of 164.25 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine is sourced from PubChem (CID 67562135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).