[1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol

C13H27NO2 — CID 103966421

IUPAC[1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol
SMILESCC(C)OCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)16-9-8-14-10-13(11-15)6-4-3-5-7-13/h12,14-15H,3-11H2,1-2H3
InChIKeyLNUMLYCFPGWHMT-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol

[1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol (PubChem CID 103966421) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol
PubChem CID103966421
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol
SMILESCC(C)OCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)16-9-8-14-10-13(11-15)6-4-3-5-7-13/h12,14-15H,3-11H2,1-2H3
InChIKeyLNUMLYCFPGWHMT-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
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-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 64911191
[1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 81419255
[1-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 103966514
1,1-Difluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol
CID 105644040
[1-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 105905440
1,1,1-Trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol
CID 113359638
1-[1-(Methylaminomethyl)cyclohexyl]ethanol
CID 53910098
1-[1-[(Propan-2-ylamino)methyl]cyclohexyl]propan-1-ol
CID 70050370
(1S,2S)-2-amino-1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol
CID 70053685
1-Morpholin-3-yl-4-propylheptan-2-ol
CID 85344942
2-Methyl-2-(methylaminomethyl)cyclohexan-1-ol
CID 117758475
2-Methyl-5-morpholin-2-ylpentan-1-ol
CID 123435330

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol (CID 103966421) is [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol is CC(C)OCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol?
The InChIKey is LNUMLYCFPGWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)16-9-8-14-10-13(11-15)6-4-3-5-7-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol?
[1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propan-2-yloxyethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 103966421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).