1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine

C12H24N2O2 — CID 22895105

IUPAC1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine
SMILESCC1(C)CCC2CCC(C)(C)N(O)C2N1O
InChIInChI=1S/C12H24N2O2/c1-11(2)7-5-9-6-8-12(3,4)14(16)10(9)13(11)15/h9-10,15-16H,5-8H2,1-4H3
InChIKeyRXUVGFQBFLNRIF-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.46
Rot. Bonds

About 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine

1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine (PubChem CID 22895105) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine.

Molecular Properties

Compound Name1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine
PubChem CID22895105
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine
SMILESCC1(C)CCC2CCC(C)(C)N(O)C2N1O
InChIInChI=1S/C12H24N2O2/c1-11(2)7-5-9-6-8-12(3,4)14(16)10(9)13(11)15/h9-10,15-16H,5-8H2,1-4H3
InChIKeyRXUVGFQBFLNRIF-UHFFFAOYSA-N
XLogP2.46
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine with MolForge

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Related Compounds

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5-(4-tert-butylphenyl)-1-hydroxy-2,2-dimethylpyrrolidine
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1-hydroxy-2,2,5,5-tetramethylpyrrolidine;methanol
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1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
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1-hydroxy-4,4-dimethylpiperidine
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1-fluoro-4-(4-fluoro-4-methylcyclohexyl)-1-methylcyclohexane
CID 54567710
1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 549976
CID 101258390
CID 101258390
1-(1,5,5-trimethylpyrrolidin-2-yl)propan-2-one
CID 130027677
4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
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1,2,2,3,6,6-hexamethylpiperidine
CID 22392298

Frequently Asked Questions

What is the IUPAC name of 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine?
The IUPAC name of 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine (CID 22895105) is 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine.
What is the SMILES notation for 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine?
The canonical SMILES for 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine is CC1(C)CCC2CCC(C)(C)N(O)C2N1O.
What is the InChIKey of 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine?
The InChIKey is RXUVGFQBFLNRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)7-5-9-6-8-12(3,4)14(16)10(9)13(11)15/h9-10,15-16H,5-8H2,1-4H3.
What are the key properties of 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine?
1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine has a molecular weight of 228.34 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dihydroxy-2,2,7,7-tetramethyl-3,4,4a,5,6,8a-hexahydro-1,8-naphthyridine is sourced from PubChem (CID 22895105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).