1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

C17H36ClNO2 — CID 2769745

IUPAC1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CNC(C)(C)C)C1.Cl
InChIInChI=1S/C17H35NO2.ClH/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6;/h12-16,18-19H,7-11H2,1-6H3;1H
InChIKeyNMZNLCCFKIAFPS-UHFFFAOYSA-N
MW321.93 g/mol
LogP3.63
Rot. Bonds6

About 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride

1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (PubChem CID 2769745) has the molecular formula C17H36ClNO2 and a molecular weight of 321.93 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
PubChem CID2769745
Molecular FormulaC17H36ClNO2
Molecular Weight321.93 g/mol
Exact Mass321.24
IUPAC Name1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride
SMILESCC1CCC(C(C)C)C(OCC(O)CNC(C)(C)C)C1.Cl
InChIInChI=1S/C17H35NO2.ClH/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6;/h12-16,18-19H,7-11H2,1-6H3;1H
InChIKeyNMZNLCCFKIAFPS-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.93
LogP ≤ 53.63
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-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride (CID 2769745) is 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is CC1CCC(C(C)C)C(OCC(O)CNC(C)(C)C)C1.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
The InChIKey is NMZNLCCFKIAFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2.ClH/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6;/h12-16,18-19H,7-11H2,1-6H3;1H.
What are the key properties of 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride?
1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride has a molecular weight of 321.93 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-2-ol;hydrochloride is sourced from PubChem (CID 2769745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).