1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol

C12H28N2O3 — CID 18683848

IUPAC1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCOCCN(C)CC(C)O
InChIInChI=1S/C12H28N2O3/c1-11(15)9-13(3)5-7-17-8-6-14(4)10-12(2)16/h11-12,15-16H,5-10H2,1-4H3
InChIKeyYNCUAQMDYAMPMX-UHFFFAOYSA-N
MW248.37 g/mol
LogP-0.37
Rot. Bonds10

About 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol

1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol (PubChem CID 18683848) has the molecular formula C12H28N2O3 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol
PubChem CID18683848
Molecular FormulaC12H28N2O3
Molecular Weight248.37 g/mol
Exact Mass248.21
IUPAC Name1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)CCOCCN(C)CC(C)O
InChIInChI=1S/C12H28N2O3/c1-11(15)9-13(3)5-7-17-8-6-14(4)10-12(2)16/h11-12,15-16H,5-10H2,1-4H3
InChIKeyYNCUAQMDYAMPMX-UHFFFAOYSA-N
XLogP-0.37
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 5-0.37
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

Triisopropanolamine
CID 24730
2-((2-(2-(Dimethylamino)ethoxy)ethyl)(methyl)amino)ethanol
CID 3086157
1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol
CID 106705
2-Propanol, 1,1'-[(2-hydroxyethyl)imino]bis-
CID 66315
2-Propanol, 1-[bis(2-hydroxyethyl)amino]-
CID 97712
1,3-Bis-(diethylamino)-2-propanol
CID 137962
4-Morpholineethanol, alpha-methyl-
CID 97957
1-[Butyl(2-hydroxypropyl)amino]propan-2-ol
CID 588959
1,1'-[[3-(Dimethylamino)propyl]imino]bis[2-propanol]
CID 112683
Hydroxypropyl bis-hydroxyethyldimonium chloride
CID 13949876
2-Propanol, 1,1'-[[2-[(2-hydroxyethyl)(2-hydroxypropyl)amino]ethyl]imino]bis-
CID 95623
(2S)-1-(morpholin-4-yl)propan-2-ol
CID 6950692

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol?
The IUPAC name of 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol (CID 18683848) is 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol is CC(O)CN(C)CCOCCN(C)CC(C)O.
What is the InChIKey of 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol?
The InChIKey is YNCUAQMDYAMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3/c1-11(15)9-13(3)5-7-17-8-6-14(4)10-12(2)16/h11-12,15-16H,5-10H2,1-4H3.
What are the key properties of 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol?
1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol has a molecular weight of 248.37 g/mol, XLogP of -0.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-hydroxypropyl(methyl)amino]ethoxy]ethyl-methylamino]propan-2-ol is sourced from PubChem (CID 18683848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).