N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol

C10H29N5O2 — CID 19827531

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
SMILESNCCNCCNCCN.OCCNCCO
InChIInChI=1S/C6H18N4.C4H11NO2/c7-1-3-9-5-6-10-4-2-8;6-3-1-5-2-4-7/h9-10H,1-8H2;5-7H,1-4H2
InChIKeyBUBORHYTZDLFOB-UHFFFAOYSA-N
MW251.37 g/mol
LogP-3.36
Rot. Bonds11

About N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol (PubChem CID 19827531) has the molecular formula C10H29N5O2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
PubChem CID19827531
Molecular FormulaC10H29N5O2
Molecular Weight251.37 g/mol
Exact Mass251.23
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
SMILESNCCNCCNCCN.OCCNCCO
InChIInChI=1S/C6H18N4.C4H11NO2/c7-1-3-9-5-6-10-4-2-8;6-3-1-5-2-4-7/h9-10H,1-8H2;5-7H,1-4H2
InChIKeyBUBORHYTZDLFOB-UHFFFAOYSA-N
XLogP-3.36
TPSA128.59 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 5-3.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
CID 88701366
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
CID 173081890
CID 173081890
2-(2-aminoethylamino)ethanol;oxalate;silver
CID 88784741
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol (CID 19827531) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol is NCCNCCNCCN.OCCNCCO.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol?
The InChIKey is BUBORHYTZDLFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C4H11NO2/c7-1-3-9-5-6-10-4-2-8;6-3-1-5-2-4-7/h9-10H,1-8H2;5-7H,1-4H2.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol has a molecular weight of 251.37 g/mol, XLogP of -3.36, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 19827531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).