1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol

C8H23N5O — CID 87930243

IUPAC1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol
SMILESCC(O)N(CCNCCN)C(N)CN
InChIInChI=1S/C8H23N5O/c1-7(14)13(8(11)6-10)5-4-12-3-2-9/h7-8,12,14H,2-6,9-11H2,1H3
InChIKeyBMVVWROKMSEOPZ-UHFFFAOYSA-N
MW205.31 g/mol
LogP-2.58
Rot. Bonds8

About 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol

1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol (PubChem CID 87930243) has the molecular formula C8H23N5O and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol
PubChem CID87930243
Molecular FormulaC8H23N5O
Molecular Weight205.31 g/mol
Exact Mass205.19
IUPAC Name1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol
SMILESCC(O)N(CCNCCN)C(N)CN
InChIInChI=1S/C8H23N5O/c1-7(14)13(8(11)6-10)5-4-12-3-2-9/h7-8,12,14H,2-6,9-11H2,1H3
InChIKeyBMVVWROKMSEOPZ-UHFFFAOYSA-N
XLogP-2.58
TPSA113.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 5-2.58
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;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
CID 19091199
1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol
CID 23036601
1-[4-aminobutyl(1-hydroxyethyl)amino]ethanol
CID 57194430
1-[5-aminopentyl(1-hydroxyethyl)amino]ethanol
CID 87634485
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
1-[12-aminododecyl(1-hydroxyethyl)amino]ethanol
CID 54281081
N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 59825307
1-[1-hydroxyethyl-[2-(methylamino)ethyl]amino]ethanol
CID 140991632
dioxidanium;bis(N'-(2-aminoethyl)ethane-1,2-diamine);ethane-1,1,2,2-tetrol;nickel
CID 6398134
2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol
CID 18704362
2-N'-(2-aminoethyl)-2-N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethylamino]ethyl]propane-2,2-diamine;azane;2-methylpropane
CID 144837103
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-(2-aminoethylamino)ethyl]ethanethioamide
CID 160913498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol?
The IUPAC name of 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol (CID 87930243) is 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol is CC(O)N(CCNCCN)C(N)CN.
What is the InChIKey of 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol?
The InChIKey is BMVVWROKMSEOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5O/c1-7(14)13(8(11)6-10)5-4-12-3-2-9/h7-8,12,14H,2-6,9-11H2,1H3.
What are the key properties of 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol?
1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol has a molecular weight of 205.31 g/mol, XLogP of -2.58, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol is sourced from PubChem (CID 87930243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).