[1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol

C13H27NO2 — CID 81419828

IUPAC[1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol
SMILESCCOCC(C)NCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-3-16-9-12(2)14-10-13(11-15)7-5-4-6-8-13/h12,14-15H,3-11H2,1-2H3
InChIKeyVCIVPQUIKJETNE-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol

[1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol (PubChem CID 81419828) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol
PubChem CID81419828
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol
SMILESCCOCC(C)NCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-3-16-9-12(2)14-10-13(11-15)7-5-4-6-8-13/h12,14-15H,3-11H2,1-2H3
InChIKeyVCIVPQUIKJETNE-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

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Related Compounds

2-Cyclohexyl-2-(2-methoxyethylamino)propan-1-ol
CID 64759521
[1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 81419255
[1-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 103966514
[2-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclohexyl]methanol
CID 104696309
[1-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 105905440
{1-[(Propan-2-yl)amino]cyclohexyl}methanol
CID 61048190
2-(3,3,5,5-Tetramethylpiperidin-2-yl)ethanol
CID 68188789
2-[[2-(Hydroxymethyl)cyclohexyl]amino]ethanol
CID 68639925
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-[(2-Morpholin-4-ylethylamino)methyl]cyclohexyl]methanol
CID 81411997
1-Morpholin-3-yl-4-propylheptan-2-ol
CID 85344942

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol (CID 81419828) is [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol is CCOCC(C)NCC1(CO)CCCCC1.
What is the InChIKey of [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is VCIVPQUIKJETNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-16-9-12(2)14-10-13(11-15)7-5-4-6-8-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of [1-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol?
[1-[(1-ethoxypropan-2-ylamino)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-[(1-ethoxypropan-2-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).