1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine

C8H16N2 — CID 565976

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine
SMILESC1CNC2CNCCC2C1
InChIInChI=1S/C8H16N2/c1-2-7-3-5-9-6-8(7)10-4-1/h7-10H,1-6H2
InChIKeyXOYWYIBCMNHXFE-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.35
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine

1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine (PubChem CID 565976) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine
PubChem CID565976
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine
SMILESC1CNC2CNCCC2C1
InChIInChI=1S/C8H16N2/c1-2-7-3-5-9-6-8(7)10-4-1/h7-10H,1-6H2
InChIKeyXOYWYIBCMNHXFE-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine (CID 565976) is 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine is C1CNC2CNCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine?
The InChIKey is XOYWYIBCMNHXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-7-3-5-9-6-8(7)10-4-1/h7-10H,1-6H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine?
1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine has a molecular weight of 140.23 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine is sourced from PubChem (CID 565976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).