1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride

C19H38ClNO2 — CID 45283722

IUPAC1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)N(CC(O)COC1C2(C)CCC(C2)C1(C)C)C(C)C.Cl
InChIInChI=1S/C19H37NO2.ClH/c1-13(2)20(14(3)4)11-16(21)12-22-17-18(5,6)15-8-9-19(17,7)10-15;/h13-17,21H,8-12H2,1-7H3;1H
InChIKeyZPUYHTPMNWGOBC-UHFFFAOYSA-N
MW347.97 g/mol
LogP4.12
Rot. Bonds7

About 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride

1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride (PubChem CID 45283722) has the molecular formula C19H38ClNO2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
PubChem CID45283722
Molecular FormulaC19H38ClNO2
Molecular Weight347.97 g/mol
Exact Mass347.26
IUPAC Name1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
SMILESCC(C)N(CC(O)COC1C2(C)CCC(C2)C1(C)C)C(C)C.Cl
InChIInChI=1S/C19H37NO2.ClH/c1-13(2)20(14(3)4)11-16(21)12-22-17-18(5,6)15-8-9-19(17,7)10-15;/h13-17,21H,8-12H2,1-7H3;1H
InChIKeyZPUYHTPMNWGOBC-UHFFFAOYSA-N
XLogP4.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride (CID 45283722) is 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride is CC(C)N(CC(O)COC1C2(C)CCC(C2)C1(C)C)C(C)C.Cl.
What is the InChIKey of 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The InChIKey is ZPUYHTPMNWGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2.ClH/c1-13(2)20(14(3)4)11-16(21)12-22-17-18(5,6)15-8-9-19(17,7)10-15;/h13-17,21H,8-12H2,1-7H3;1H.
What are the key properties of 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride has a molecular weight of 347.97 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 45283722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).