1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol

C13H27NO3 — CID 103179094

IUPAC1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCOCCCOCCNCC1(O)CCCCC1
InChIInChI=1S/C13H27NO3/c1-16-9-5-10-17-11-8-14-12-13(15)6-3-2-4-7-13/h14-15H,2-12H2,1H3
InChIKeyZKNWNNBMYNPJCE-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.32
Rot. Bonds9

About 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol

1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 103179094) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
PubChem CID103179094
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
SMILESCOCCCOCCNCC1(O)CCCCC1
InChIInChI=1S/C13H27NO3/c1-16-9-5-10-17-11-8-14-12-13(15)6-3-2-4-7-13/h14-15H,2-12H2,1H3
InChIKeyZKNWNNBMYNPJCE-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.32
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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Related Compounds

2-Methyl-1-oxa-4-azaspiro[5.5]undecane
CID 55262469
3-(2-Methoxyethyl)piperidin-3-ol hydrochloride
CID 167735526
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 61518643
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
1-[(2-Methoxyethylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 64757753
1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 65109006
4-Methyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65115822
1-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65805408
4-Methyl-1-[[2-(trifluoromethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65805409
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]ethanamine
CID 82005686
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 82005853

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol (CID 103179094) is 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol is COCCCOCCNCC1(O)CCCCC1.
What is the InChIKey of 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZKNWNNBMYNPJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-16-9-5-10-17-11-8-14-12-13(15)6-3-2-4-7-13/h14-15H,2-12H2,1H3.
What are the key properties of 1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol?
1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 245.36 g/mol, XLogP of 1.32, 9 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]cyclohexan-1-ol is sourced from PubChem (CID 103179094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).