trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol

C12H25NO2 — CID 102731750

IUPACtrans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
SMILESCC(C)COCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO2/c1-10(2)9-15-8-7-13-11-5-3-4-6-12(11)14/h10-14H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyIQUZTGFYTGWMGB-VXGBXAGGSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds6

About trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol (PubChem CID 102731750) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
PubChem CID102731750
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nametrans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol
SMILESCC(C)COCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H25NO2/c1-10(2)9-15-8-7-13-11-5-3-4-6-12(11)14/h10-14H,3-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyIQUZTGFYTGWMGB-VXGBXAGGSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
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

2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106450291
trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol
CID 102733127
trans-(1R,2R)-2-(2-cyclopentyloxyethylamino)cyclopentan-1-ol
CID 102733484
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine
CID 102671626
2-(3-hydroxybutylamino)cycloheptan-1-ol
CID 64911614
2-[2-(2-methylpropoxy)ethyl]cyclohexan-1-ol
CID 106455939
trans-(1R,2R)-2-(4-methylpentylamino)cyclopentan-1-ol
CID 102733178
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol (CID 102731750) is trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol is CC(C)COCCN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol?
The InChIKey is IQUZTGFYTGWMGB-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)9-15-8-7-13-11-5-3-4-6-12(11)14/h10-14H,3-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-(2-methylpropoxy)ethylamino]cyclohexan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 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-methylpropoxy)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).