1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol

C13H30N2O2 — CID 90250564

IUPAC1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol
SMILESCCCN(CC)CC(O)COC(CC)CNC
InChIInChI=1S/C13H30N2O2/c1-5-8-15(7-3)10-12(16)11-17-13(6-2)9-14-4/h12-14,16H,5-11H2,1-4H3
InChIKeyGABVHOLTBBNKIR-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.09
Rot. Bonds11

About 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol

1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol (PubChem CID 90250564) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol
PubChem CID90250564
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol
SMILESCCCN(CC)CC(O)COC(CC)CNC
InChIInChI=1S/C13H30N2O2/c1-5-8-15(7-3)10-12(16)11-17-13(6-2)9-14-4/h12-14,16H,5-11H2,1-4H3
InChIKeyGABVHOLTBBNKIR-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
1-[3-(diethylamino)propyl-ethylamino]-3-propan-2-yloxypropan-2-ol
CID 102995834
N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]acetamide
CID 90250306
N-methyl-2-propoxybutan-1-amine
CID 62452056
1-[ethyl(3-hydroxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 115666449
N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]-N-[2-(methylamino)ethyl]formamide
CID 90250363
2-[2-(dimethylamino)ethoxy]-N-methylbutan-1-amine
CID 62460004
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine
CID 115505812
2-(2-ethoxyethoxy)-N-methylbutan-1-amine
CID 62444508
N-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106449827
1-[bis(2-methoxyethyl)amino]-3-(methylamino)propan-2-ol
CID 61418429

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol (CID 90250564) is 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol is CCCN(CC)CC(O)COC(CC)CNC.
What is the InChIKey of 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol?
The InChIKey is GABVHOLTBBNKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-8-15(7-3)10-12(16)11-17-13(6-2)9-14-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol?
1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 1.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propyl)amino]-3-[1-(methylamino)butan-2-yloxy]propan-2-ol is sourced from PubChem (CID 90250564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).