1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine

C17H26N2 — CID 83488647

IUPAC1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine
SMILESCC1(C)CCN(Cc2ccccc2)C2CCNCC21
InChIInChI=1S/C17H26N2/c1-17(2)9-11-19(13-14-6-4-3-5-7-14)16-8-10-18-12-15(16)17/h3-7,15-16,18H,8-13H2,1-2H3
InChIKeyWEOUOCZEZPJAKT-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.90
Rot. Bonds2

About 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine

1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine (PubChem CID 83488647) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine
PubChem CID83488647
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine
SMILESCC1(C)CCN(Cc2ccccc2)C2CCNCC21
InChIInChI=1S/C17H26N2/c1-17(2)9-11-19(13-14-6-4-3-5-7-14)16-8-10-18-12-15(16)17/h3-7,15-16,18H,8-13H2,1-2H3
InChIKeyWEOUOCZEZPJAKT-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine with MolForge

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Related Compounds

(1S,5R,6S,9R)-2-benzyl-5-methyl-2-azabicyclo[3.3.1]nonane-6,9-diol
CID 134834620
4-(1-benzylpyrrolidin-2-yl)piperidine
CID 82385405
1-benzyl-4,4-diethoxy-2,3,4a,5,6,7,8,8a-octahydroquinoline
CID 66580403
1-benzyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 563820
1-benzyl-2-piperidin-3-ylpiperidine
CID 82380311
1-benzyl-7-methyl-1,4-diazepane
CID 56828058
(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
2-benzyl-1-ethyl-2,8-diazaspiro[4.5]decane
CID 83851488
1-benzyl-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-one;hydrochloride
CID 170910040
(3aR,8aR)-4-benzyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine;ethane;molecular hydrogen
CID 178143543
(2S)-1-benzyl-2-bromopiperazine
CID 150249323
2-benzyl-1-methyl-2,7-diazaspiro[4.4]nonane
CID 83850406

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine?
The IUPAC name of 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine (CID 83488647) is 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine.
What is the SMILES notation for 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine?
The canonical SMILES for 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine is CC1(C)CCN(Cc2ccccc2)C2CCNCC21.
What is the InChIKey of 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine?
The InChIKey is WEOUOCZEZPJAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(2)9-11-19(13-14-6-4-3-5-7-14)16-8-10-18-12-15(16)17/h3-7,15-16,18H,8-13H2,1-2H3.
What are the key properties of 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine?
1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine has a molecular weight of 258.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,4-dimethyl-2,3,4a,5,6,7,8,8a-octahydro-1,6-naphthyridine is sourced from PubChem (CID 83488647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).