2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane

C12H20N2 — CID 176962199

IUPAC2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
SMILESCC.Cc1ccc2c(n1)NC(C)CC2
InChIInChI=1S/C10H14N2.C2H6/c1-7-3-5-9-6-4-8(2)12-10(9)11-7;1-2/h3,5,8H,4,6H2,1-2H3,(H,11,12);1-2H3
InChIKeyWKXKOCSZPFVRJI-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.16
Rot. Bonds

About 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane

2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane (PubChem CID 176962199) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane.

Molecular Properties

Compound Name2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
PubChem CID176962199
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
SMILESCC.Cc1ccc2c(n1)NC(C)CC2
InChIInChI=1S/C10H14N2.C2H6/c1-7-3-5-9-6-4-8(2)12-10(9)11-7;1-2/h3,5,8H,4,6H2,1-2H3,(H,11,12);1-2H3
InChIKeyWKXKOCSZPFVRJI-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane?
The IUPAC name of 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane (CID 176962199) is 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane.
What is the SMILES notation for 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane?
The canonical SMILES for 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane is CC.Cc1ccc2c(n1)NC(C)CC2.
What is the InChIKey of 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane?
The InChIKey is WKXKOCSZPFVRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-7-3-5-9-6-4-8(2)12-10(9)11-7;1-2/h3,5,8H,4,6H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane?
2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane has a molecular weight of 192.31 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane is sourced from PubChem (CID 176962199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).