trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol

C10H21NO2 — CID 102734882

IUPACtrans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
SMILESCCOCCN(C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H21NO2/c1-3-13-8-7-11(2)9-5-4-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyHBSJCUAIFQHFDV-UWVGGRQHSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds5

About trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol (PubChem CID 102734882) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
PubChem CID102734882
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametrans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
SMILESCCOCCN(C)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H21NO2/c1-3-13-8-7-11(2)9-5-4-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyHBSJCUAIFQHFDV-UWVGGRQHSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol (CID 102734882) is trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol is CCOCCN(C)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol?
The InChIKey is HBSJCUAIFQHFDV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-13-8-7-11(2)9-5-4-6-10(9)12/h9-10,12H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).