1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride

C17H34ClNO2 — CID 18593456

IUPAC1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COC1CC2CCC1(C)C2(C)C.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-15(2,3)18-10-13(19)11-20-14-9-12-7-8-17(14,6)16(12,4)5;/h12-14,18-19H,7-11H2,1-6H3;1H
InChIKeyPCFWSMCVMHOBQK-UHFFFAOYSA-N
MW319.92 g/mol
LogP3.39
Rot. Bonds5

About 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride

1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride (PubChem CID 18593456) has the molecular formula C17H34ClNO2 and a molecular weight of 319.92 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
PubChem CID18593456
Molecular FormulaC17H34ClNO2
Molecular Weight319.92 g/mol
Exact Mass319.23
IUPAC Name1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)(C)NCC(O)COC1CC2CCC1(C)C2(C)C.Cl
InChIInChI=1S/C17H33NO2.ClH/c1-15(2,3)18-10-13(19)11-20-14-9-12-7-8-17(14,6)16(12,4)5;/h12-14,18-19H,7-11H2,1-6H3;1H
InChIKeyPCFWSMCVMHOBQK-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.92
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride (CID 18593456) is 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride is CC(C)(C)NCC(O)COC1CC2CCC1(C)C2(C)C.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The InChIKey is PCFWSMCVMHOBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2.ClH/c1-15(2,3)18-10-13(19)11-20-14-9-12-7-8-17(14,6)16(12,4)5;/h12-14,18-19H,7-11H2,1-6H3;1H.
What are the key properties of 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride has a molecular weight of 319.92 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 18593456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).