4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine

C10H16N2 — CID 137445688

IUPAC4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine
SMILESCC1=CCNC2=C1C(C)CCN2
InChIInChI=1S/C10H16N2/c1-7-3-5-11-10-9(7)8(2)4-6-12-10/h3,8,11-12H,4-6H2,1-2H3
InChIKeyFZLQNNYPRLYRLT-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.38
Rot. Bonds

About 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine

4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine (PubChem CID 137445688) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine.

Molecular Properties

Compound Name4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine
PubChem CID137445688
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine
SMILESCC1=CCNC2=C1C(C)CCN2
InChIInChI=1S/C10H16N2/c1-7-3-5-11-10-9(7)8(2)4-6-12-10/h3,8,11-12H,4-6H2,1-2H3
InChIKeyFZLQNNYPRLYRLT-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine?
The IUPAC name of 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine (CID 137445688) is 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine.
What is the SMILES notation for 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine?
The canonical SMILES for 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine is CC1=CCNC2=C1C(C)CCN2.
What is the InChIKey of 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine?
The InChIKey is FZLQNNYPRLYRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-3-5-11-10-9(7)8(2)4-6-12-10/h3,8,11-12H,4-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine?
4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine has a molecular weight of 164.25 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,2,3,4,7,8-hexahydro-1,8-naphthyridine is sourced from PubChem (CID 137445688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).