1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol

C16H31NO2 — CID 79045058

IUPAC1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
SMILESCCC1CCCCC1C(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H31NO2/c1-4-13-7-5-6-8-14(13)15(18)16(2,3)17-9-11-19-12-10-17/h13-15,18H,4-12H2,1-3H3
InChIKeyGXZKMOBBLNHUQV-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.67
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol

1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol (PubChem CID 79045058) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
PubChem CID79045058
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
SMILESCCC1CCCCC1C(O)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H31NO2/c1-4-13-7-5-6-8-14(13)15(18)16(2,3)17-9-11-19-12-10-17/h13-15,18H,4-12H2,1-3H3
InChIKeyGXZKMOBBLNHUQV-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol (CID 79045058) is 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol is CCC1CCCCC1C(O)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
The InChIKey is GXZKMOBBLNHUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-13-7-5-6-8-14(13)15(18)16(2,3)17-9-11-19-12-10-17/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol?
1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 79045058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).