6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane

C15H32N2 — CID 166478789

IUPAC6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane
SMILESCC.CC(C)(C)CN1CCC2CNCCC2C1
InChIInChI=1S/C13H26N2.C2H6/c1-13(2,3)10-15-7-5-11-8-14-6-4-12(11)9-15;1-2/h11-12,14H,4-10H2,1-3H3;1-2H3
InChIKeyYFVBKBOPPZNBBY-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.99
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane

6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane (PubChem CID 166478789) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane
PubChem CID166478789
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane
SMILESCC.CC(C)(C)CN1CCC2CNCCC2C1
InChIInChI=1S/C13H26N2.C2H6/c1-13(2,3)10-15-7-5-11-8-14-6-4-12(11)9-15;1-2/h11-12,14H,4-10H2,1-3H3;1-2H3
InChIKeyYFVBKBOPPZNBBY-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane?
The IUPAC name of 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane (CID 166478789) is 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane?
The canonical SMILES for 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane is CC.CC(C)(C)CN1CCC2CNCCC2C1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane?
The InChIKey is YFVBKBOPPZNBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C2H6/c1-13(2,3)10-15-7-5-11-8-14-6-4-12(11)9-15;1-2/h11-12,14H,4-10H2,1-3H3;1-2H3.
What are the key properties of 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane?
6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane has a molecular weight of 240.43 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane is sourced from PubChem (CID 166478789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).