(4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride

C9H17ClN2O — CID 70347211

IUPAC(4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride
SMILESCl.NC1=N[C@@H]2CCCC(O)[C@@H]2CC1
InChIInChI=1S/C9H16N2O.ClH/c10-9-5-4-6-7(11-9)2-1-3-8(6)12;/h6-8,12H,1-5H2,(H2,10,11);1H/t6-,7-,8?;/m1./s1
InChIKeyCHZKBLIGFWDSTO-XAWXTQPKSA-N
MW204.70 g/mol
LogP1.09
Rot. Bonds

About (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride

(4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride (PubChem CID 70347211) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride.

Molecular Properties

Compound Name(4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride
PubChem CID70347211
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name(4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride
SMILESCl.NC1=N[C@@H]2CCCC(O)[C@@H]2CC1
InChIInChI=1S/C9H16N2O.ClH/c10-9-5-4-6-7(11-9)2-1-3-8(6)12;/h6-8,12H,1-5H2,(H2,10,11);1H/t6-,7-,8?;/m1./s1
InChIKeyCHZKBLIGFWDSTO-XAWXTQPKSA-N
XLogP1.09
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride with MolForge

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Related Compounds

(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
(6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride
CID 70346942
(4S,4aS,7aS)-4-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-amine
CID 10034809
[(2R)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]methanol;hydrochloride
CID 22872569
3-(2-hydroxycyclopentyl)cyclobutane-1,2-diol
CID 67220416
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12778912
cis-(1R,2S)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-aminocyclopentan-1-ol;dihydrochloride
CID 171920852
bis(2-aminocyclopentan-1-ol);dihydrochloride
CID 154776416
cis-(1S,2R)-2-aminocyclopentan-1-ol;hydrochloride
CID 17039404
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,3,5-triol
CID 58860261
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 54106302
N-cyclobutylhydroxylamine;(2S)-2-(3,5-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 177027227

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride?
The IUPAC name of (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride (CID 70347211) is (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride.
What is the SMILES notation for (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride?
The canonical SMILES for (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride is Cl.NC1=N[C@@H]2CCCC(O)[C@@H]2CC1.
What is the InChIKey of (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride?
The InChIKey is CHZKBLIGFWDSTO-XAWXTQPKSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c10-9-5-4-6-7(11-9)2-1-3-8(6)12;/h6-8,12H,1-5H2,(H2,10,11);1H/t6-,7-,8?;/m1./s1.
What are the key properties of (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride?
(4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride has a molecular weight of 204.70 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride is sourced from PubChem (CID 70347211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).