(3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride

C9H18ClNO — CID 154919470

IUPAC(3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride
SMILESCNC1C[C@H]2CC(O)C[C@H]2C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-10-8-2-6-4-9(11)5-7(6)3-8;/h6-11H,2-5H2,1H3;1H/t6-,7+,8?,9?;
InChIKeyBKFBMPOQROVZDB-VSDGLZOYSA-N
MW191.70 g/mol
LogP1.18
Rot. Bonds1

About (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride

(3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride (PubChem CID 154919470) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride.

Molecular Properties

Compound Name(3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride
PubChem CID154919470
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name(3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride
SMILESCNC1C[C@H]2CC(O)C[C@H]2C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-10-8-2-6-4-9(11)5-7(6)3-8;/h6-11H,2-5H2,1H3;1H/t6-,7+,8?,9?;
InChIKeyBKFBMPOQROVZDB-VSDGLZOYSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride with MolForge

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Related Compounds

2-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ol
CID 58483981
5-(methylamino)cyclohexane-1,3-diol
CID 69462878
7-(methylamino)-3-oxabicyclo[3.3.1]nonan-9-ol
CID 118473848
3-(methylamino)cyclopentan-1-ol;hydrochloride
CID 162422237
3-(methylamino)cyclohexan-1-ol;hydrochloride
CID 138108510
N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 59398149
3-(3-aminocyclobutyl)cyclobutan-1-ol
CID 147350454
methyl 5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 105441123
N,6-dimethylbicyclo[3.2.0]heptan-3-amine
CID 129173155
cyclobutane-1,3-diol
CID 175518786
(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 147950414
3-fluoro-N-methylcyclobutan-1-amine
CID 84715977

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride?
The IUPAC name of (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride (CID 154919470) is (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride.
What is the SMILES notation for (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride?
The canonical SMILES for (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride is CNC1C[C@H]2CC(O)C[C@H]2C1.Cl.
What is the InChIKey of (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride?
The InChIKey is BKFBMPOQROVZDB-VSDGLZOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-10-8-2-6-4-9(11)5-7(6)3-8;/h6-11H,2-5H2,1H3;1H/t6-,7+,8?,9?;.
What are the key properties of (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride?
(3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-(methylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol;hydrochloride is sourced from PubChem (CID 154919470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).