1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane

C12H24N2O — CID 142187811

IUPAC1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane
SMILESCC.CN1CCC2C(=O)CCN(C)C2C1
InChIInChI=1S/C10H18N2O.C2H6/c1-11-5-3-8-9(7-11)12(2)6-4-10(8)13;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyUAVPTLBQRQUTPZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds

About 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane

1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane (PubChem CID 142187811) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane.

Molecular Properties

Compound Name1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane
PubChem CID142187811
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane
SMILESCC.CN1CCC2C(=O)CCN(C)C2C1
InChIInChI=1S/C10H18N2O.C2H6/c1-11-5-3-8-9(7-11)12(2)6-4-10(8)13;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyUAVPTLBQRQUTPZ-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane?
The IUPAC name of 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane (CID 142187811) is 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane.
What is the SMILES notation for 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane?
The canonical SMILES for 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane is CC.CN1CCC2C(=O)CCN(C)C2C1.
What is the InChIKey of 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane?
The InChIKey is UAVPTLBQRQUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6/c1-11-5-3-8-9(7-11)12(2)6-4-10(8)13;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane?
1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane has a molecular weight of 212.34 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3,4a,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4-one;ethane is sourced from PubChem (CID 142187811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).