2-[[3-(dimethylamino)propylamino]methylamino]ethanol

C8H21N3O — CID 57086029

IUPAC2-[[3-(dimethylamino)propylamino]methylamino]ethanol
SMILESCN(C)CCCNCNCCO
InChIInChI=1S/C8H21N3O/c1-11(2)6-3-4-9-8-10-5-7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyGVPOIUYZORKGMB-UHFFFAOYSA-N
MW175.28 g/mol
LogP-0.93
Rot. Bonds8

About 2-[[3-(dimethylamino)propylamino]methylamino]ethanol

2-[[3-(dimethylamino)propylamino]methylamino]ethanol (PubChem CID 57086029) has the molecular formula C8H21N3O and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)propylamino]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)propylamino]methylamino]ethanol
PubChem CID57086029
Molecular FormulaC8H21N3O
Molecular Weight175.28 g/mol
Exact Mass175.17
IUPAC Name2-[[3-(dimethylamino)propylamino]methylamino]ethanol
SMILESCN(C)CCCNCNCCO
InChIInChI=1S/C8H21N3O/c1-11(2)6-3-4-9-8-10-5-7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyGVPOIUYZORKGMB-UHFFFAOYSA-N
XLogP-0.93
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[[3-(Dimethylamino)propyl]amino]ethanol
CID 104470
3-Hydroxyethyl-1,3,5,8,12-pentaazacyclotetradecane
CID 11081665
Urea, N,N-bis(2-hydroxyethyl)-N'-propyl-
CID 11615318
2-[2-Hydroxyethyl-[3-(methylamino)propyl]amino]ethanol
CID 13199112
2,2-Bis(ethylamino)ethanol
CID 15606959
2-[1-Aminopropyl(ethyl)amino]ethanol
CID 18000427
2,2-Bis(butylamino)ethanol
CID 18172892
1-Aminopropyl-(2-hydroxyethyl)-dimethylazanium
CID 19020163
2-[3-[2-Hydroxyethyl(methyl)amino]propylamino]ethanol
CID 19755942
2-[[1,3-Diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 19893042
1-[1-(Dimethylamino)propylamino]ethanol
CID 19905653
2-[1-Aminobutyl(2-hydroxyethyl)amino]ethanol
CID 20439649

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)propylamino]methylamino]ethanol?
The IUPAC name of 2-[[3-(dimethylamino)propylamino]methylamino]ethanol (CID 57086029) is 2-[[3-(dimethylamino)propylamino]methylamino]ethanol.
What is the SMILES notation for 2-[[3-(dimethylamino)propylamino]methylamino]ethanol?
The canonical SMILES for 2-[[3-(dimethylamino)propylamino]methylamino]ethanol is CN(C)CCCNCNCCO.
What is the InChIKey of 2-[[3-(dimethylamino)propylamino]methylamino]ethanol?
The InChIKey is GVPOIUYZORKGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O/c1-11(2)6-3-4-9-8-10-5-7-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-[[3-(dimethylamino)propylamino]methylamino]ethanol?
2-[[3-(dimethylamino)propylamino]methylamino]ethanol has a molecular weight of 175.28 g/mol, XLogP of -0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)propylamino]methylamino]ethanol is sourced from PubChem (CID 57086029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).