ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine

C16H26N2 — CID 142013132

IUPACethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine
SMILESCC.CCC1CCc2cc3c(nc2C1)NCCC3
InChIInChI=1S/C14H20N2.C2H6/c1-2-10-5-6-11-9-12-4-3-7-15-14(12)16-13(11)8-10;1-2/h9-10H,2-8H2,1H3,(H,15,16);1-2H3
InChIKeyVBEJMFQHTYPDQI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.98
Rot. Bonds1

About ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine

ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine (PubChem CID 142013132) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine.

Molecular Properties

Compound Nameethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine
PubChem CID142013132
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Nameethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine
SMILESCC.CCC1CCc2cc3c(nc2C1)NCCC3
InChIInChI=1S/C14H20N2.C2H6/c1-2-10-5-6-11-9-12-4-3-7-15-14(12)16-13(11)8-10;1-2/h9-10H,2-8H2,1H3,(H,15,16);1-2H3
InChIKeyVBEJMFQHTYPDQI-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine with MolForge

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Related Compounds

7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 118036794
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
6-methyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139422166
6-ethoxy-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 133059709
ethane;6-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole;molecular hydrogen
CID 143568151
6-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 45496220
7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 118036593
7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 177029071
2-[(2S)-1-cyclobutylpropan-2-yl]oxy-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxamide
CID 156545074
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 118036449
N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054793

Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine?
The IUPAC name of ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine (CID 142013132) is ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine.
What is the SMILES notation for ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine?
The canonical SMILES for ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine is CC.CCC1CCc2cc3c(nc2C1)NCCC3.
What is the InChIKey of ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine?
The InChIKey is VBEJMFQHTYPDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C2H6/c1-2-10-5-6-11-9-12-4-3-7-15-14(12)16-13(11)8-10;1-2/h9-10H,2-8H2,1H3,(H,15,16);1-2H3.
What are the key properties of ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine?
ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine has a molecular weight of 246.40 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,8]naphthyridine is sourced from PubChem (CID 142013132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).