2-[methyl-[3-(methylamino)butyl]amino]ethanol

C8H20N2O — CID 167236855

IUPAC2-[methyl-[3-(methylamino)butyl]amino]ethanol
SMILESCNC(C)CCN(C)CCO
InChIInChI=1S/C8H20N2O/c1-8(9-2)4-5-10(3)6-7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyCOXKYZDHTXRXSH-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.09
Rot. Bonds6

About 2-[methyl-[3-(methylamino)butyl]amino]ethanol

2-[methyl-[3-(methylamino)butyl]amino]ethanol (PubChem CID 167236855) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-[methyl-[3-(methylamino)butyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[3-(methylamino)butyl]amino]ethanol
PubChem CID167236855
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-[methyl-[3-(methylamino)butyl]amino]ethanol
SMILESCNC(C)CCN(C)CCO
InChIInChI=1S/C8H20N2O/c1-8(9-2)4-5-10(3)6-7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyCOXKYZDHTXRXSH-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[3-(methylamino)butyl]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

ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 153352387
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827204
2-[[3-(4-chlorophenyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 62643807
1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175145973
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
CID 59270461
CID 59270461
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
5-[3,5-dihydroxypentyl(methyl)amino]pentane-1,3-diol
CID 171541613
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(methylamino)butyl]amino]ethanol?
The IUPAC name of 2-[methyl-[3-(methylamino)butyl]amino]ethanol (CID 167236855) is 2-[methyl-[3-(methylamino)butyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[3-(methylamino)butyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[3-(methylamino)butyl]amino]ethanol is CNC(C)CCN(C)CCO.
What is the InChIKey of 2-[methyl-[3-(methylamino)butyl]amino]ethanol?
The InChIKey is COXKYZDHTXRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(9-2)4-5-10(3)6-7-11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-[methyl-[3-(methylamino)butyl]amino]ethanol?
2-[methyl-[3-(methylamino)butyl]amino]ethanol has a molecular weight of 160.26 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(methylamino)butyl]amino]ethanol is sourced from PubChem (CID 167236855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).