10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol

C13H19N3O — CID 115008451

IUPAC10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol
SMILESCN1CCC2Nc3ccc(O)cc3C(N)C2C1
InChIInChI=1S/C13H19N3O/c1-16-5-4-12-10(7-16)13(14)9-6-8(17)2-3-11(9)15-12/h2-3,6,10,12-13,15,17H,4-5,7,14H2,1H3
InChIKeyYBTALKHHTCJHBS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.14
Rot. Bonds

About 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol

10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol (PubChem CID 115008451) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol.

Molecular Properties

Compound Name10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol
PubChem CID115008451
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol
SMILESCN1CCC2Nc3ccc(O)cc3C(N)C2C1
InChIInChI=1S/C13H19N3O/c1-16-5-4-12-10(7-16)13(14)9-6-8(17)2-3-11(9)15-12/h2-3,6,10,12-13,15,17H,4-5,7,14H2,1H3
InChIKeyYBTALKHHTCJHBS-UHFFFAOYSA-N
XLogP1.14
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,2,4-Trimethyl-1,2-dihydro-6-quinolinol
CID 599799
2-Hydroxydesipramine
CID 121249
1H,5H-Benzo(ij)quinolizin-9-ol, 2,3,6,7-tetrahydro-
CID 377645
5H-Dibenzb,fazepin-2-ol, 10,11-dihydro-5-2-methyl-3-(methylamino)propyl-
CID 53462006
2-Hydroxytrimipramine
CID 160610
3-[(7R,8R,9aR)-7,8-dimethyl-2-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094419
1-Benzyl-2,2,4-trimethylquinolin-6-ol
CID 45484215
8-methoxy-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 68803474
1,2,3,4-Tetrahydroquinolin-6-ol
CID 76897
4-(3-hydroxyphenyl)-3,4-dihydro-1H-quinazoline-2-thione
CID 57339755
2-(4-Hydroxy-phenyl)-1,2,3,4-tetrahydro-quinolin-6-ol
CID 44299446
1-Benzyl-2,2,4-trimethylquinolin-6-ol;hydrochloride
CID 50993933

Frequently Asked Questions

What is the IUPAC name of 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol?
The IUPAC name of 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol (CID 115008451) is 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol.
What is the SMILES notation for 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol?
The canonical SMILES for 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol is CN1CCC2Nc3ccc(O)cc3C(N)C2C1.
What is the InChIKey of 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol?
The InChIKey is YBTALKHHTCJHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-5-4-12-10(7-16)13(14)9-6-8(17)2-3-11(9)15-12/h2-3,6,10,12-13,15,17H,4-5,7,14H2,1H3.
What are the key properties of 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol?
10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol has a molecular weight of 233.31 g/mol, XLogP of 1.14, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-8-ol is sourced from PubChem (CID 115008451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).