1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol

C8H21N3O2 — CID 20744004

IUPAC1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol
SMILESCCC(O)N(CCN)CC(O)NC
InChIInChI=1S/C8H21N3O2/c1-3-8(13)11(5-4-9)6-7(12)10-2/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyQWZJBIXVKODNQB-UHFFFAOYSA-N
MW191.27 g/mol
LogP-1.49
Rot. Bonds7

About 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol

1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol (PubChem CID 20744004) has the molecular formula C8H21N3O2 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol
PubChem CID20744004
Molecular FormulaC8H21N3O2
Molecular Weight191.27 g/mol
Exact Mass191.16
IUPAC Name1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol
SMILESCCC(O)N(CCN)CC(O)NC
InChIInChI=1S/C8H21N3O2/c1-3-8(13)11(5-4-9)6-7(12)10-2/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyQWZJBIXVKODNQB-UHFFFAOYSA-N
XLogP-1.49
TPSA81.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethambutol
CID 14052
Ethambutol Hydrochloride
CID 14051
(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
CID 3279
Ethambutol, meso-
CID 470072
Ethambutol, (R,R)-
CID 470071
N1-(1,1-Dimethyl-2-hydroxyethyl)-2-methyl-1,2-propanediamine
CID 226842
(2R,2'R)-2,2'-(ethane-1,2-diylbis(azanediyl))bis(butan-1-ol) hydrochloride
CID 6852402
2-Propanol, 1,1'-(1,2-ethanediyldiimino)bis-
CID 102964
2-((2-Aminoethyl)(2-((2-hydroxyethyl)amino)ethyl)amino)ethanol
CID 162390
2-((2-(Diethylamino)ethyl)amino)ethanol
CID 98797
(2S)-2-((2-(((2S)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 9990101
2-[2-[(2-Hydroxy-1,1-dimethyl-ethyl)amino]ethylamino]-2-methyl-propan-1-ol
CID 225578

Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol?
The IUPAC name of 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol (CID 20744004) is 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol.
What is the SMILES notation for 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol?
The canonical SMILES for 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol is CCC(O)N(CCN)CC(O)NC.
What is the InChIKey of 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol?
The InChIKey is QWZJBIXVKODNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2/c1-3-8(13)11(5-4-9)6-7(12)10-2/h7-8,10,12-13H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol?
1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of -1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl-[2-hydroxy-2-(methylamino)ethyl]amino]propan-1-ol is sourced from PubChem (CID 20744004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).