[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol

C14H29NO3 — CID 103179390

IUPAC[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESCOCCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO3/c1-17-9-5-10-18-11-8-15-12-14(13-16)6-3-2-4-7-14/h15-16H,2-13H2,1H3
InChIKeyQPDFIQZHGRAZKR-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.57
Rot. Bonds10

About [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 103179390) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol
PubChem CID103179390
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol
SMILESCOCCCOCCNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO3/c1-17-9-5-10-18-11-8-15-12-14(13-16)6-3-2-4-7-14/h15-16H,2-13H2,1H3
InChIKeyQPDFIQZHGRAZKR-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol (CID 103179390) is [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol is COCCCOCCNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is QPDFIQZHGRAZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-17-9-5-10-18-11-8-15-12-14(13-16)6-3-2-4-7-14/h15-16H,2-13H2,1H3.
What are the key properties of [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103179390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).