[1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol

C13H27NO2 — CID 106452436

IUPAC[1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol
SMILESCCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-2-9-16-10-8-14-11-13(12-15)6-4-3-5-7-13/h14-15H,2-12H2,1H3
InChIKeyAMXZWPINNQIUPC-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.95
Rot. Bonds8

About [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol

[1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol (PubChem CID 106452436) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol
PubChem CID106452436
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol
SMILESCCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO2/c1-2-9-16-10-8-14-11-13(12-15)6-4-3-5-7-13/h14-15H,2-12H2,1H3
InChIKeyAMXZWPINNQIUPC-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.95
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-Cyclohexyl-2-(2-methoxyethylamino)propan-1-ol
CID 64759521
[1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 81419255
[1-[(2-Fluoroethylamino)methyl]cyclohexyl]methanol
CID 103966306
[1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexyl]methanol
CID 103966462
[1-[(3-Fluoropropylamino)methyl]cyclohexyl]methanol
CID 103966476
[1-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 103966514
[1-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]cyclohexyl]methanol
CID 105905440
2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methyl]ethanamine
CID 106705998
[1-(Methylaminomethyl)cyclohexyl]methanol
CID 54262721
(R)-[(2R)-1,2-dimethylcyclohexyl]-(2-methoxyethylamino)methanol
CID 144457926
1-[2-(2-Aminoethoxy)ethylamino]-4-ethyl-4-methylheptan-2-ol
CID 163917185
2-[(3,3-Dimethylcyclohexyl)amino]-1-hexanol
CID 45933427

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol (CID 106452436) is [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol is CCCOCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol?
The InChIKey is AMXZWPINNQIUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-9-16-10-8-14-11-13(12-15)6-4-3-5-7-13/h14-15H,2-12H2,1H3.
What are the key properties of [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol?
[1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol has a molecular weight of 229.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propoxyethylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 106452436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).