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

C9H17ClN2O — CID 70346942

IUPAC(6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride
SMILESCl.NC1=NC2CC[C@H](O)CC2CC1
InChIInChI=1S/C9H16N2O.ClH/c10-9-4-1-6-5-7(12)2-3-8(6)11-9;/h6-8,12H,1-5H2,(H2,10,11);1H/t6?,7-,8?;/m0./s1
InChIKeyQVESFZCUZFTTCK-HKFBNJBWSA-N
MW204.70 g/mol
LogP1.09
Rot. Bonds

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

(6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride (PubChem CID 70346942) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride.

Molecular Properties

Compound Name(6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride
PubChem CID70346942
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name(6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride
SMILESCl.NC1=NC2CC[C@H](O)CC2CC1
InChIInChI=1S/C9H16N2O.ClH/c10-9-4-1-6-5-7(12)2-3-8(6)11-9;/h6-8,12H,1-5H2,(H2,10,11);1H/t6?,7-,8?;/m0./s1
InChIKeyQVESFZCUZFTTCK-HKFBNJBWSA-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 (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride with MolForge

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Related Compounds

(4aR,8aR)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-5-ol;hydrochloride
CID 70347211
[(2R)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]methanol;hydrochloride
CID 22872569
(4aS,7S,8aS)-7-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 12839726
2-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 12778912
cis-(1R,3S)-3-aminocyclopentan-1-ol;dihydrochloride
CID 121471734
cis-(1R,3S)-3-aminocyclopentan-1-ol;hydrochloride
CID 56845289
2-cyclopropyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
CID 115066260
(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 640668
(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 7188325
(3aS,5S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
CID 13056507
cyclohexane-1,4-diol;hydrochloride
CID 141062883
2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
CID 58483981

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride?
The IUPAC name of (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride (CID 70346942) is (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride.
What is the SMILES notation for (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride?
The canonical SMILES for (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride is Cl.NC1=NC2CC[C@H](O)CC2CC1.
What is the InChIKey of (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride?
The InChIKey is QVESFZCUZFTTCK-HKFBNJBWSA-N. The full InChI is InChI=1S/C9H16N2O.ClH/c10-9-4-1-6-5-7(12)2-3-8(6)11-9;/h6-8,12H,1-5H2,(H2,10,11);1H/t6?,7-,8?;/m0./s1.
What are the key properties of (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride?
(6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-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 (6S)-2-amino-3,4,4a,5,6,7,8,8a-octahydroquinolin-6-ol;hydrochloride is sourced from PubChem (CID 70346942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).