2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane

C12H32N4O2 — CID 90906484

IUPAC2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane
SMILESCCC.NCCN(CCNCO)CCNCCO
InChIInChI=1S/C9H24N4O2.C3H8/c10-1-5-13(7-3-12-9-15)6-2-11-4-8-14;1-3-2/h11-12,14-15H,1-10H2;3H2,1-2H3
InChIKeyFHQVWAHUBOEEAL-UHFFFAOYSA-N
MW264.41 g/mol
LogP-1.22
Rot. Bonds11

About 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane

2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane (PubChem CID 90906484) has the molecular formula C12H32N4O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane.

Molecular Properties

Compound Name2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane
PubChem CID90906484
Molecular FormulaC12H32N4O2
Molecular Weight264.41 g/mol
Exact Mass264.25
IUPAC Name2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane
SMILESCCC.NCCN(CCNCO)CCNCCO
InChIInChI=1S/C9H24N4O2.C3H8/c10-1-5-13(7-3-12-9-15)6-2-11-4-8-14;1-3-2/h11-12,14-15H,1-10H2;3H2,1-2H3
InChIKeyFHQVWAHUBOEEAL-UHFFFAOYSA-N
XLogP-1.22
TPSA93.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
CID 173116618
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol
CID 159800308
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane?
The IUPAC name of 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane (CID 90906484) is 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane.
What is the SMILES notation for 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane?
The canonical SMILES for 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane is CCC.NCCN(CCNCO)CCNCCO.
What is the InChIKey of 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane?
The InChIKey is FHQVWAHUBOEEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4O2.C3H8/c10-1-5-13(7-3-12-9-15)6-2-11-4-8-14;1-3-2/h11-12,14-15H,1-10H2;3H2,1-2H3.
What are the key properties of 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane?
2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane has a molecular weight of 264.41 g/mol, XLogP of -1.22, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane is sourced from PubChem (CID 90906484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).