1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol

C12H25NO2 — CID 112589182

IUPAC1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol
SMILESCC(C)(C)OCCNCC1(O)CCCC1
InChIInChI=1S/C12H25NO2/c1-11(2,3)15-9-8-13-10-12(14)6-4-5-7-12/h13-14H,4-10H2,1-3H3
InChIKeySHGNDAIMUJOQNH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.70
Rot. Bonds5

About 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol

1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol (PubChem CID 112589182) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol
PubChem CID112589182
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol
SMILESCC(C)(C)OCCNCC1(O)CCCC1
InChIInChI=1S/C12H25NO2/c1-11(2,3)15-9-8-13-10-12(14)6-4-5-7-12/h13-14H,4-10H2,1-3H3
InChIKeySHGNDAIMUJOQNH-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.70
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

N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
CID 62111088
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
CID 62111089
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65109102
1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
CID 65111635
1-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65805407
N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]propan-1-amine
CID 82006731
N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine
CID 82007094
N-[[1-(4,4,4-trifluorobutoxy)cyclopentyl]methyl]propan-1-amine
CID 82791568
N-[[1-(4,4,4-trifluorobutoxy)cyclopentyl]methyl]ethanamine
CID 82792849
N-[[1-(3,3,3-trifluoropropoxy)cyclopentyl]methyl]propan-1-amine
CID 82956965
N-[[1-(3,3,3-trifluoropropoxy)cyclopentyl]methyl]ethanamine
CID 82959486
1-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]cyclopentan-1-ol
CID 105910750

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol (CID 112589182) is 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol is CC(C)(C)OCCNCC1(O)CCCC1.
What is the InChIKey of 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is SHGNDAIMUJOQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)15-9-8-13-10-12(14)6-4-5-7-12/h13-14H,4-10H2,1-3H3.
What are the key properties of 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol?
1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 112589182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).