2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol

C9H24N4O — CID 175385477

IUPAC2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol
SMILESCN(C)CCCNN(CCN)CCO
InChIInChI=1S/C9H24N4O/c1-12(2)6-3-5-11-13(7-4-10)8-9-14/h11,14H,3-10H2,1-2H3
InChIKeyMDAALGXHNNELQU-UHFFFAOYSA-N
MW204.32 g/mol
LogP-1.30
Rot. Bonds9

About 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol

2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol (PubChem CID 175385477) has the molecular formula C9H24N4O and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol.

Molecular Properties

Compound Name2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol
PubChem CID175385477
Molecular FormulaC9H24N4O
Molecular Weight204.32 g/mol
Exact Mass204.20
IUPAC Name2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol
SMILESCN(C)CCCNN(CCN)CCO
InChIInChI=1S/C9H24N4O/c1-12(2)6-3-5-11-13(7-4-10)8-9-14/h11,14H,3-10H2,1-2H3
InChIKeyMDAALGXHNNELQU-UHFFFAOYSA-N
XLogP-1.30
TPSA64.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-aminoethyl-(2-aminoethylamino)amino]ethanol
CID 174634522
3-(2,2-dimethylhydrazinyl)-N,N-dimethylpropan-1-amine
CID 114525248
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
3-(2-ethyl-2-methylhydrazinyl)-N,N-dimethylpropan-1-amine
CID 121428596
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine
CID 90866572
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
3-(dimethylamino)propan-1-ol;ethane
CID 142056104
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
3-(2,2-diethylhydrazinyl)propan-1-amine
CID 55290275
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;bis(N',N'-dimethylpropane-1,3-diamine);ethane-1,2-diamine
CID 157170431
CID 161066727
CID 161066727

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol?
The IUPAC name of 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol (CID 175385477) is 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol.
What is the SMILES notation for 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol?
The canonical SMILES for 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol is CN(C)CCCNN(CCN)CCO.
What is the InChIKey of 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol?
The InChIKey is MDAALGXHNNELQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4O/c1-12(2)6-3-5-11-13(7-4-10)8-9-14/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol?
2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol has a molecular weight of 204.32 g/mol, XLogP of -1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[3-(dimethylamino)propylamino]amino]ethanol is sourced from PubChem (CID 175385477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).