2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol

C8H22N4O — CID 123776115

IUPAC2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol
SMILESCN(C)CNCCN(C)C(O)CN
InChIInChI=1S/C8H22N4O/c1-11(2)7-10-4-5-12(3)8(13)6-9/h8,10,13H,4-7,9H2,1-3H3
InChIKeyVLMRRIOVOUWRJZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP-1.70
Rot. Bonds7

About 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol

2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol (PubChem CID 123776115) has the molecular formula C8H22N4O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol
PubChem CID123776115
Molecular FormulaC8H22N4O
Molecular Weight190.29 g/mol
Exact Mass190.18
IUPAC Name2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol
SMILESCN(C)CNCCN(C)C(O)CN
InChIInChI=1S/C8H22N4O/c1-11(2)7-10-4-5-12(3)8(13)6-9/h8,10,13H,4-7,9H2,1-3H3
InChIKeyVLMRRIOVOUWRJZ-UHFFFAOYSA-N
XLogP-1.70
TPSA64.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
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

2-((2-(Diethylamino)ethyl)amino)ethanol
CID 98797
2-(1,4,7,10-Tetraazacyclododecan-1-yl)ethan-1-ol
CID 12963738
3,10-Bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane
CID 6394558
3-Hydroxyethyl-1,3,5,8,12-pentaazacyclotetradecane
CID 11081665
1-[10-(1-Hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol
CID 91102296
1,8-Di-hydroxylethyl-1,3,6,8,10,13-hexaazacyclotetradecane
CID 129723578
3,10-(alpha-Hydroxyethyl) 1,3,5,8,10,12-hexaza-cyclotetradecane
CID 129835259
2,5-Diazahexan-1,6-dithionic amide, 2-[2-hydroxyethyl]-N,N'-dimethyl-
CID 5377232
2,2-Bis(ethylamino)ethanol
CID 15606959
1-[2-[2-(2-Aminoethylamino)ethylamino]ethyl-(1-hydroxyethyl)amino]ethanol
CID 19782324
2-[4-(1-Piperazin-1-ylethyl)piperazin-1-yl]ethanol
CID 19981525
1-[1-[Bis[1-(1-hydroxyethylamino)ethyl]amino]ethylamino]ethanol
CID 20078745

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol?
The IUPAC name of 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol (CID 123776115) is 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol?
The canonical SMILES for 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol is CN(C)CNCCN(C)C(O)CN.
What is the InChIKey of 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol?
The InChIKey is VLMRRIOVOUWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4O/c1-11(2)7-10-4-5-12(3)8(13)6-9/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol?
2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol has a molecular weight of 190.29 g/mol, XLogP of -1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol is sourced from PubChem (CID 123776115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).