2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol

C17H33NO3 — CID 18593503

IUPAC2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(O)COC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H33NO3/c1-15(2,11-19)18-9-13(20)10-21-14-8-12-6-7-17(14,5)16(12,3)4/h12-14,18-20H,6-11H2,1-5H3
InChIKeyCZMBKTXEGFQCGG-UHFFFAOYSA-N
MW299.45 g/mol
LogP1.94
Rot. Bonds7

About 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol

2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol (PubChem CID 18593503) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol
PubChem CID18593503
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(O)COC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H33NO3/c1-15(2,11-19)18-9-13(20)10-21-14-8-12-6-7-17(14,5)16(12,3)4/h12-14,18-20H,6-11H2,1-5H3
InChIKeyCZMBKTXEGFQCGG-UHFFFAOYSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol (CID 18593503) is 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol is CC(C)(CO)NCC(O)COC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol?
The InChIKey is CZMBKTXEGFQCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-15(2,11-19)18-9-13(20)10-21-14-8-12-6-7-17(14,5)16(12,3)4/h12-14,18-20H,6-11H2,1-5H3.
What are the key properties of 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol?
2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol has a molecular weight of 299.45 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 18593503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).