trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride

C7H16ClNO — CID 138040621

IUPACtrans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride
SMILESCN(C)[C@@H]1CC[C@@H](O)C1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8(2)6-3-4-7(9)5-6;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyLEXAGCFGLWHAOU-ZJLYAJKPSA-N
MW165.66 g/mol
LogP0.88
Rot. Bonds1

About trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride

trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride (PubChem CID 138040621) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride
PubChem CID138040621
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Nametrans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride
SMILESCN(C)[C@@H]1CC[C@@H](O)C1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-8(2)6-3-4-7(9)5-6;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1
InChIKeyLEXAGCFGLWHAOU-ZJLYAJKPSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride?
The IUPAC name of trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride (CID 138040621) is trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride?
The canonical SMILES for trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride is CN(C)[C@@H]1CC[C@@H](O)C1.Cl.
What is the InChIKey of trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride?
The InChIKey is LEXAGCFGLWHAOU-ZJLYAJKPSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-8(2)6-3-4-7(9)5-6;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m1./s1.
What are the key properties of trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride?
trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(dimethylamino)cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 138040621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).