2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol

C9H23N3O — CID 143093735

IUPAC2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCNCCN
InChIInChI=1S/C9H23N3O/c1-2-12(8-9-13)7-3-5-11-6-4-10/h11,13H,2-10H2,1H3
InChIKeyFCQCXSGHWKCBRR-UHFFFAOYSA-N
MW189.30 g/mol
LogP-0.76
Rot. Bonds9

About 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol

2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol (PubChem CID 143093735) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
PubChem CID143093735
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Name2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCNCCN
InChIInChI=1S/C9H23N3O/c1-2-12(8-9-13)7-3-5-11-6-4-10/h11,13H,2-10H2,1H3
InChIKeyFCQCXSGHWKCBRR-UHFFFAOYSA-N
XLogP-0.76
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol
CID 159800308
N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 20833349
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 87350577
CID 172703845
CID 172703845
2-[ethyl-[3-(hydroxymethylamino)propyl]amino]ethanol;3-methylpentan-2-amine
CID 165397482
2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
CID 173445075
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
CID 87517787

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol?
The IUPAC name of 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol (CID 143093735) is 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol.
What is the SMILES notation for 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol?
The canonical SMILES for 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol is CCN(CCO)CCCNCCN.
What is the InChIKey of 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol?
The InChIKey is FCQCXSGHWKCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O/c1-2-12(8-9-13)7-3-5-11-6-4-10/h11,13H,2-10H2,1H3.
What are the key properties of 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol?
2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol has a molecular weight of 189.30 g/mol, XLogP of -0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol is sourced from PubChem (CID 143093735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).