trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol

C11H21NO2 — CID 102734200

IUPACtrans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
SMILESC=C(C)COCCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C11H21NO2/c1-9(2)8-14-7-6-12-10-4-3-5-11(10)13/h10-13H,1,3-8H2,2H3/t10-,11-/m1/s1
InChIKeyWEMWIUJWVBLMRX-GHMZBOCLSA-N
MW199.29 g/mol
LogP1.08
Rot. Bonds6

About trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol

trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol (PubChem CID 102734200) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
PubChem CID102734200
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametrans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
SMILESC=C(C)COCCN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C11H21NO2/c1-9(2)8-14-7-6-12-10-4-3-5-11(10)13/h10-13H,1,3-8H2,2H3/t10-,11-/m1/s1
InChIKeyWEMWIUJWVBLMRX-GHMZBOCLSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol
CID 102733127
2-(3-methylbut-3-enylamino)cyclohexan-1-ol
CID 114472241
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 102672561
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-(3-ethoxypropylamino)cyclopentan-1-ol
CID 102733020
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
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 115699234
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
CID 114817951
1-(2-methylcyclopentyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917531
1-[(1S,2S)-2-methylcyclopentyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 97092212

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol (CID 102734200) is trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol is C=C(C)COCCN[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol?
The InChIKey is WEMWIUJWVBLMRX-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)8-14-7-6-12-10-4-3-5-11(10)13/h10-13H,1,3-8H2,2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol?
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 102734200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).