1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol

C13H18N2O — CID 105472873

IUPAC1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol
SMILESNC1CCCC2CCc3cc(O)ccc3N12
InChIInChI=1S/C13H18N2O/c14-13-3-1-2-10-5-4-9-8-11(16)6-7-12(9)15(10)13/h6-8,10,13,16H,1-5,14H2
InChIKeyVXWPSGWKKWUCIW-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.98
Rot. Bonds

About 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol

1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol (PubChem CID 105472873) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol.

Molecular Properties

Compound Name1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol
PubChem CID105472873
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol
SMILESNC1CCCC2CCc3cc(O)ccc3N12
InChIInChI=1S/C13H18N2O/c14-13-3-1-2-10-5-4-9-8-11(16)6-7-12(9)15(10)13/h6-8,10,13,16H,1-5,14H2
InChIKeyVXWPSGWKKWUCIW-UHFFFAOYSA-N
XLogP1.98
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol with MolForge

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Related Compounds

8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105476015
9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105498616
2-amino-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-7-ol
CID 105456514
7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine
CID 105472893
10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105498620
8-hydroxy-1,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-2-one
CID 115107570
8-hydroxy-2,3,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-1-one
CID 115107456
(2R)-1-ethyl-2-methyl-3,4-dihydro-2H-quinolin-6-ol
CID 99907724
6-aminospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-2-ol
CID 115057087
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 83853018
(1S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-ol
CID 129390892

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol?
The IUPAC name of 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol (CID 105472873) is 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol.
What is the SMILES notation for 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol?
The canonical SMILES for 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol is NC1CCCC2CCc3cc(O)ccc3N12.
What is the InChIKey of 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol?
The InChIKey is VXWPSGWKKWUCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-13-3-1-2-10-5-4-9-8-11(16)6-7-12(9)15(10)13/h6-8,10,13,16H,1-5,14H2.
What are the key properties of 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol?
1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol has a molecular weight of 218.30 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol is sourced from PubChem (CID 105472873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).