trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol

C10H21NO3 — CID 126846559

IUPACtrans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol
SMILESCOC(CN(C)[C@@H]1CCC[C@H]1O)OC
InChIInChI=1S/C10H21NO3/c1-11(7-10(13-2)14-3)8-5-4-6-9(8)12/h8-10,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyVBTSEJMDZNTJPW-RKDXNWHRSA-N
MW203.28 g/mol
LogP0.45
Rot. Bonds5

About trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol (PubChem CID 126846559) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol
PubChem CID126846559
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nametrans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol
SMILESCOC(CN(C)[C@@H]1CCC[C@H]1O)OC
InChIInChI=1S/C10H21NO3/c1-11(7-10(13-2)14-3)8-5-4-6-9(8)12/h8-10,12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyVBTSEJMDZNTJPW-RKDXNWHRSA-N
XLogP0.45
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol (CID 126846559) is trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol is COC(CN(C)[C@@H]1CCC[C@H]1O)OC.
What is the InChIKey of trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol?
The InChIKey is VBTSEJMDZNTJPW-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO3/c1-11(7-10(13-2)14-3)8-5-4-6-9(8)12/h8-10,12H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2,2-dimethoxyethyl(methyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 126846559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).