ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine

C10H18N2 — CID 171622678

IUPACethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine
SMILESC1=NC2=C(CC1)NCCC2.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-7-8(9-5-1)4-2-6-10-7;1-2/h5,10H,1-4,6H2;1-2H3
InChIKeyYISNCYQMLHFBRP-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.47
Rot. Bonds

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

ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine (PubChem CID 171622678) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine.

Molecular Properties

Compound Nameethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine
PubChem CID171622678
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine
SMILESC1=NC2=C(CC1)NCCC2.CC
InChIInChI=1S/C8H12N2.C2H6/c1-3-7-8(9-5-1)4-2-6-10-7;1-2/h5,10H,1-4,6H2;1-2H3
InChIKeyYISNCYQMLHFBRP-UHFFFAOYSA-N
XLogP2.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine?
The IUPAC name of ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine (CID 171622678) is ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine.
What is the SMILES notation for ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine?
The canonical SMILES for ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine is C1=NC2=C(CC1)NCCC2.CC.
What is the InChIKey of ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine?
The InChIKey is YISNCYQMLHFBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-3-7-8(9-5-1)4-2-6-10-7;1-2/h5,10H,1-4,6H2;1-2H3.
What are the key properties of ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine?
ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine has a molecular weight of 166.27 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,7,8-hexahydro-1,5-naphthyridine is sourced from PubChem (CID 171622678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).