tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate

C14H26N2O2 — CID 83851349

IUPACtert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
SMILESCC1C2NCCCC2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-10-12-11(6-5-8-15-12)7-9-16(10)13(17)18-14(2,3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyXJTNUGPBHYDNLS-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.38
Rot. Bonds

About tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate

tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate (PubChem CID 83851349) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
PubChem CID83851349
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate
SMILESCC1C2NCCCC2CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O2/c1-10-12-11(6-5-8-15-12)7-9-16(10)13(17)18-14(2,3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyXJTNUGPBHYDNLS-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 86332351
tert-butyl 6-methyl-1,2,3,4,6,6a,7,8,9,9a-decahydrocyclopenta[b][1,5]diazocine-5-carboxylate
CID 82379476
tert-butyl (4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carboxylate
CID 71305999
tert-butyl 8-methyl-1,2,3,4,4a,6,7,8,9,9a-decahydropyrido[3,2-b]azepine-5-carboxylate
CID 82667287
tert-butyl 1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 68729079
tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
CID 100654289
tert-butyl 6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 160788675
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl (2S)-3-methoxy-2-methylpyrrolidine-1-carboxylate
CID 166870611
tert-butyl (1S,6S)-2,7-diazabicyclo[4.2.0]octane-7-carboxylate
CID 97110879
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
tert-butyl 4-methyl-1,5-diazocane-1-carboxylate
CID 82391173

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate?
The IUPAC name of tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate (CID 83851349) is tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate.
What is the SMILES notation for tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate?
The canonical SMILES for tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate is CC1C2NCCCC2CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate?
The InChIKey is XJTNUGPBHYDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-12-11(6-5-8-15-12)7-9-16(10)13(17)18-14(2,3)4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate?
tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridine-7-carboxylate is sourced from PubChem (CID 83851349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).