2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol

C11H30N4O2 — CID 18704362

IUPAC2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CN(C)C.NCCNCCO
InChIInChI=1S/C7H18N2O.C4H12N2O/c1-8(2)5-7(10)6-9(3)4;5-1-2-6-3-4-7/h7,10H,5-6H2,1-4H3;6-7H,1-5H2
InChIKeyCKHRUXIDUOUXBN-UHFFFAOYSA-N
MW250.39 g/mol
LogP-2.00
Rot. Bonds8

About 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol

2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol (PubChem CID 18704362) has the molecular formula C11H30N4O2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol
PubChem CID18704362
Molecular FormulaC11H30N4O2
Molecular Weight250.39 g/mol
Exact Mass250.24
IUPAC Name2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CN(C)C.NCCNCCO
InChIInChI=1S/C7H18N2O.C4H12N2O/c1-8(2)5-7(10)6-9(3)4;5-1-2-6-3-4-7/h7,10H,5-6H2,1-4H3;6-7H,1-5H2
InChIKeyCKHRUXIDUOUXBN-UHFFFAOYSA-N
XLogP-2.00
TPSA84.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
2-(2-aminoethylamino)ethanol;2-(methylamino)ethanol
CID 88701366
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
CID 173081890
CID 173081890
3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol
CID 141458925
2-(2-aminoethylamino)ethanol;phosphoric acid
CID 88523857
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
1-(2-aminoethylamino)propan-2-ol;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19893086

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol?
The IUPAC name of 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol (CID 18704362) is 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol.
What is the SMILES notation for 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol?
The canonical SMILES for 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol is CN(C)CC(O)CN(C)C.NCCNCCO.
What is the InChIKey of 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol?
The InChIKey is CKHRUXIDUOUXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.C4H12N2O/c1-8(2)5-7(10)6-9(3)4;5-1-2-6-3-4-7/h7,10H,5-6H2,1-4H3;6-7H,1-5H2.
What are the key properties of 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol?
2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol has a molecular weight of 250.39 g/mol, XLogP of -2.00, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol is sourced from PubChem (CID 18704362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).