1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride

C12H30Cl2N2O3 — CID 172990455

IUPAC1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
SMILESCC(C)NCC(O)COCC(O)CNC(C)C.Cl.Cl
InChIInChI=1S/C12H28N2O3.2ClH/c1-9(2)13-5-11(15)7-17-8-12(16)6-14-10(3)4;;/h9-16H,5-8H2,1-4H3;2*1H
InChIKeyJDYKRYOLHCIFOH-UHFFFAOYSA-N
MW321.29 g/mol
LogP0.56
Rot. Bonds10

About 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride

1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride (PubChem CID 172990455) has the molecular formula C12H30Cl2N2O3 and a molecular weight of 321.29 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
PubChem CID172990455
Molecular FormulaC12H30Cl2N2O3
Molecular Weight321.29 g/mol
Exact Mass320.16
IUPAC Name1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
SMILESCC(C)NCC(O)COCC(O)CNC(C)C.Cl.Cl
InChIInChI=1S/C12H28N2O3.2ClH/c1-9(2)13-5-11(15)7-17-8-12(16)6-14-10(3)4;;/h9-16H,5-8H2,1-4H3;2*1H
InChIKeyJDYKRYOLHCIFOH-UHFFFAOYSA-N
XLogP0.56
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 51063228
CID 164787457
CID 164787457
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-(2,3-dihexadecoxypropoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 23466152
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
CID 8741528
1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14223890
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]propanenitrile;oxalic acid
CID 110181615
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(propan-2-ylamino)propan-2-ol
CID 60903069
1-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 21493190
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide
CID 113406919

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride (CID 172990455) is 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride is CC(C)NCC(O)COCC(O)CNC(C)C.Cl.Cl.
What is the InChIKey of 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride?
The InChIKey is JDYKRYOLHCIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3.2ClH/c1-9(2)13-5-11(15)7-17-8-12(16)6-14-10(3)4;;/h9-16H,5-8H2,1-4H3;2*1H.
What are the key properties of 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride?
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 0.56, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 172990455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).