1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol

C10H25N3O2 — CID 23036601

IUPAC1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol
SMILESCCC(O)N(CCNCCN)C(O)CC
InChIInChI=1S/C10H25N3O2/c1-3-9(14)13(10(15)4-2)8-7-12-6-5-11/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKeyJAXCQANOVZSROI-UHFFFAOYSA-N
MW219.33 g/mol
LogP-0.71
Rot. Bonds9

About 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol

1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol (PubChem CID 23036601) has the molecular formula C10H25N3O2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol
PubChem CID23036601
Molecular FormulaC10H25N3O2
Molecular Weight219.33 g/mol
Exact Mass219.19
IUPAC Name1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol
SMILESCCC(O)N(CCNCCN)C(O)CC
InChIInChI=1S/C10H25N3O2/c1-3-9(14)13(10(15)4-2)8-7-12-6-5-11/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKeyJAXCQANOVZSROI-UHFFFAOYSA-N
XLogP-0.71
TPSA81.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol
CID 87930243
acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
CID 19091199
N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 59825307
2-[3-(2-aminoethylamino)propyl-ethylamino]ethanol
CID 143093735
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779
dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel
CID 6398134
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 87350577
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide
CID 160913498
N'-[2-[2-[methyl(propyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 154558458
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol?
The IUPAC name of 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol (CID 23036601) is 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol is CCC(O)N(CCNCCN)C(O)CC.
What is the InChIKey of 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol?
The InChIKey is JAXCQANOVZSROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O2/c1-3-9(14)13(10(15)4-2)8-7-12-6-5-11/h9-10,12,14-15H,3-8,11H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol?
1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of -0.71, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol is sourced from PubChem (CID 23036601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).