1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol

C11H25NO3 — CID 115666449

IUPAC1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCCN(CCCO)CC(O)COC(C)C
InChIInChI=1S/C11H25NO3/c1-4-12(6-5-7-13)8-11(14)9-15-10(2)3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyDKPOVSAGTZYRNT-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.48
Rot. Bonds9

About 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol

1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 115666449) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID115666449
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCCN(CCCO)CC(O)COC(C)C
InChIInChI=1S/C11H25NO3/c1-4-12(6-5-7-13)8-11(14)9-15-10(2)3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyDKPOVSAGTZYRNT-UHFFFAOYSA-N
XLogP0.48
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
CID 102995834
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
1-chloro-3-[ethyl(3-hydroxypropyl)amino]propan-2-ol
CID 59110283
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60752269
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95357959
1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 115666449) is 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol is CCN(CCCO)CC(O)COC(C)C.
What is the InChIKey of 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is DKPOVSAGTZYRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-4-12(6-5-7-13)8-11(14)9-15-10(2)3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 0.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 115666449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).