1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

C19H40ClNO2 — CID 45283719

IUPAC1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CN(C(C)C)C(C)C)C1.Cl
InChIInChI=1S/C19H39NO2.ClH/c1-13(2)18-9-8-16(7)10-19(18)22-12-17(21)11-20(14(3)4)15(5)6;/h13-19,21H,8-12H2,1-7H3;1H
InChIKeyPETLNESKGNYUQC-UHFFFAOYSA-N
MW349.99 g/mol
LogP4.37
Rot. Bonds8

About 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (PubChem CID 45283719) has the molecular formula C19H40ClNO2 and a molecular weight of 349.99 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
PubChem CID45283719
Molecular FormulaC19H40ClNO2
Molecular Weight349.99 g/mol
Exact Mass349.27
IUPAC Name1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CN(C(C)C)C(C)C)C1.Cl
InChIInChI=1S/C19H39NO2.ClH/c1-13(2)18-9-8-16(7)10-19(18)22-12-17(21)11-20(14(3)4)15(5)6;/h13-19,21H,8-12H2,1-7H3;1H
InChIKeyPETLNESKGNYUQC-UHFFFAOYSA-N
XLogP4.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.99
LogP ≤ 54.37
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-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (CID 45283719) is 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is CC1CCC(C(C)C)C(OCC(O)CN(C(C)C)C(C)C)C1.Cl.
What is the InChIKey of 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The InChIKey is PETLNESKGNYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2.ClH/c1-13(2)18-9-8-16(7)10-19(18)22-12-17(21)11-20(14(3)4)15(5)6;/h13-19,21H,8-12H2,1-7H3;1H.
What are the key properties of 1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
1-[di(propan-2-yl)amino]-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride has a molecular weight of 349.99 g/mol, XLogP of 4.37, 8 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-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 45283719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).