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

C12H28N2O3 — CID 56635909

IUPAC1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COCC(O)CNC(C)C
InChIInChI=1S/C12H28N2O3/c1-9(2)13-5-11(15)7-17-8-12(16)6-14-10(3)4/h9-16H,5-8H2,1-4H3
InChIKeyAXVZLDYGQFICTM-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.28
Rot. Bonds10

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

1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 56635909) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID56635909
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COCC(O)CNC(C)C
InChIInChI=1S/C12H28N2O3/c1-9(2)13-5-11(15)7-17-8-12(16)6-14-10(3)4/h9-16H,5-8H2,1-4H3
InChIKeyAXVZLDYGQFICTM-UHFFFAOYSA-N
XLogP-0.28
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-Isopropylamino-1,2-propanediol
CID 110857
(2-Hydroxy-3-methoxypropyl)(methyl)amine
CID 20789163
1-(Tert-butylamino)-3-isobutoxy-2-propanol
CID 12606684
1-(Tert-butylamino)-3-propan-2-yloxypropan-2-ol
CID 12606686
1-(Tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol
CID 44459891
2-Propanol, 1-butoxy-3-((1-methylethyl)amino)-
CID 3067037
1-Butoxy-3-(tert-butylamino)propan-2-ol
CID 3067038
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(1-methylpropoxy)-
CID 3067040
2-Propanol, 1-(2-methylbutoxy)-3-((1-methylethyl)amino)-
CID 3067041
GlyTouCan:G89581YY
CID 648844
1-Aminooxy-3-isopropylamino-propan-2-ol
CID 13273113
2-Propanol, 1-ethoxy-3-(methylamino)-
CID 18714629

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol (CID 56635909) is 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COCC(O)CNC(C)C.
What is the InChIKey of 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is AXVZLDYGQFICTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-9(2)13-5-11(15)7-17-8-12(16)6-14-10(3)4/h9-16H,5-8H2,1-4H3.
What are the key properties of 1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of -0.28, 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 is sourced from PubChem (CID 56635909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).