2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol

C17H33NO2 — CID 62609572

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC)CC2CCCO2)C1
InChIInChI=1S/C17H33NO2/c1-3-6-14-8-9-17(19)15(11-14)12-18(4-2)13-16-7-5-10-20-16/h14-17,19H,3-13H2,1-2H3
InChIKeyDYSHSSRYDGSLII-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.06
Rot. Bonds7

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 62609572) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID62609572
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC)CC2CCCO2)C1
InChIInChI=1S/C17H33NO2/c1-3-6-14-8-9-17(19)15(11-14)12-18(4-2)13-16-7-5-10-20-16/h14-17,19H,3-13H2,1-2H3
InChIKeyDYSHSSRYDGSLII-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol (CID 62609572) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(CC)CC2CCCO2)C1.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is DYSHSSRYDGSLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-6-14-8-9-17(19)15(11-14)12-18(4-2)13-16-7-5-10-20-16/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62609572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).