1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol

C17H29NO2 — CID 4240610

IUPAC1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol
SMILESCC(C(O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1
InChIInChI=1S/C17H29NO2/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-16,19H,2-11H2,1H3
InChIKeyMHKRUWSAALLYSE-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.28
Rot. Bonds3

About 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol

1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol (PubChem CID 4240610) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol
PubChem CID4240610
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol
SMILESCC(C(O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1
InChIInChI=1S/C17H29NO2/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-16,19H,2-11H2,1H3
InChIKeyMHKRUWSAALLYSE-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol (CID 4240610) is 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol is CC(C(O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.
What is the InChIKey of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol?
The InChIKey is MHKRUWSAALLYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(18-2-4-20-5-3-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-16,19H,2-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol?
1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 4240610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).