2-amino-2-[3-(dimethylamino)propoxy]ethanol

C7H18N2O2 — CID 123544441

IUPAC2-amino-2-[3-(dimethylamino)propoxy]ethanol
SMILESCN(C)CCCOC(N)CO
InChIInChI=1S/C7H18N2O2/c1-9(2)4-3-5-11-7(8)6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyUOZLWJZEMRSEHI-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.77
Rot. Bonds6

About 2-amino-2-[3-(dimethylamino)propoxy]ethanol

2-amino-2-[3-(dimethylamino)propoxy]ethanol (PubChem CID 123544441) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-amino-2-[3-(dimethylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(dimethylamino)propoxy]ethanol
PubChem CID123544441
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name2-amino-2-[3-(dimethylamino)propoxy]ethanol
SMILESCN(C)CCCOC(N)CO
InChIInChI=1S/C7H18N2O2/c1-9(2)4-3-5-11-7(8)6-10/h7,10H,3-6,8H2,1-2H3
InChIKeyUOZLWJZEMRSEHI-UHFFFAOYSA-N
XLogP-0.77
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
3-(dimethylamino)propyl 2-methyl-2-sulfanylpropanoate
CID 163919328
3-(dimethylamino)propyl 3-methylbutanoate
CID 58070061
CID 59347745
CID 59347745
3-heptadecan-9-yloxy-N,N-dimethylpropan-1-amine
CID 140938522
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
2-[bis[3-(dimethylamino)propyl]amino]propane-1,3-diol
CID 87398959
N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
CID 62459512
6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
CID 171629245
2-(1-aminohexoxy)ethanol
CID 87099968
3-(dimethylamino)propan-1-ol;ethane
CID 142056104
1-methyl-1-(3-propan-2-yloxypropyl)hydrazine
CID 130815808

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(dimethylamino)propoxy]ethanol?
The IUPAC name of 2-amino-2-[3-(dimethylamino)propoxy]ethanol (CID 123544441) is 2-amino-2-[3-(dimethylamino)propoxy]ethanol.
What is the SMILES notation for 2-amino-2-[3-(dimethylamino)propoxy]ethanol?
The canonical SMILES for 2-amino-2-[3-(dimethylamino)propoxy]ethanol is CN(C)CCCOC(N)CO.
What is the InChIKey of 2-amino-2-[3-(dimethylamino)propoxy]ethanol?
The InChIKey is UOZLWJZEMRSEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-9(2)4-3-5-11-7(8)6-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-amino-2-[3-(dimethylamino)propoxy]ethanol?
2-amino-2-[3-(dimethylamino)propoxy]ethanol has a molecular weight of 162.23 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(dimethylamino)propoxy]ethanol is sourced from PubChem (CID 123544441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).