trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol

C9H19NO2 — CID 102733127

IUPACtrans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol
SMILESCCOCCN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NO2/c1-2-12-7-6-10-8-4-3-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyRYBXKBDXCUDEDK-IUCAKERBSA-N
MW173.26 g/mol
LogP0.53
Rot. Bonds5

About trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol (PubChem CID 102733127) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol
PubChem CID102733127
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametrans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol
SMILESCCOCCN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H19NO2/c1-2-12-7-6-10-8-4-3-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyRYBXKBDXCUDEDK-IUCAKERBSA-N
XLogP0.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(3-ethoxypropylamino)cyclopentan-1-ol
CID 102733020
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014
trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
CID 102731750
trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
CID 102733487
trans-(1R,2R)-2-(2-cyclopentyloxyethylamino)cyclopentan-1-ol
CID 102733484
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
trans-(1S,2S)-2-(2-cyclobutylethylamino)cyclopentan-1-ol
CID 102734088

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol (CID 102733127) is trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol is CCOCCN[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol?
The InChIKey is RYBXKBDXCUDEDK-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-12-7-6-10-8-4-3-5-9(8)11/h8-11H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol has a molecular weight of 173.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).