1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol

C12H28N2O3 — CID 55126959

IUPAC1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(C)CCNCC(O)COC(C)C
InChIInChI=1S/C12H28N2O3/c1-11(2)17-10-12(15)9-13-5-6-14(3)7-8-16-4/h11-13,15H,5-10H2,1-4H3
InChIKeyNGUBMISQAZPYFC-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.06
Rot. Bonds11

About 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol

1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 55126959) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID55126959
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(C)CCNCC(O)COC(C)C
InChIInChI=1S/C12H28N2O3/c1-11(2)17-10-12(15)9-13-5-6-14(3)7-8-16-4/h11-13,15H,5-10H2,1-4H3
InChIKeyNGUBMISQAZPYFC-UHFFFAOYSA-N
XLogP-0.06
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844325
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 62977059
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-methylpropanamide
CID 62843100
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
1-(3-chlorophenoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844684
(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
N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81055191
1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
CID 62273506

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol (CID 55126959) is 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol is COCCN(C)CCNCC(O)COC(C)C.
What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is NGUBMISQAZPYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-11(2)17-10-12(15)9-13-5-6-14(3)7-8-16-4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol?
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 248.37 g/mol, XLogP of -0.06, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 55126959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).