2-[4-aminobutyl(methyl)amino]ethanol

C7H18N2O — CID 12647849

IUPAC2-[4-aminobutyl(methyl)amino]ethanol
SMILESCN(CCO)CCCCN
InChIInChI=1S/C7H18N2O/c1-9(6-7-10)5-3-2-4-8/h10H,2-8H2,1H3
InChIKeyXOLPYHDVWHTVSO-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.35
Rot. Bonds6

About 2-[4-aminobutyl(methyl)amino]ethanol

2-[4-aminobutyl(methyl)amino]ethanol (PubChem CID 12647849) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[4-aminobutyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[4-aminobutyl(methyl)amino]ethanol
PubChem CID12647849
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[4-aminobutyl(methyl)amino]ethanol
SMILESCN(CCO)CCCCN
InChIInChI=1S/C7H18N2O/c1-9(6-7-10)5-3-2-4-8/h10H,2-8H2,1H3
InChIKeyXOLPYHDVWHTVSO-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide
CID 88790453
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
N'-[2-[2-[8-aminooctyl(methyl)amino]ethyldisulfanyl]ethyl]-N'-methyloctane-1,8-diamine
CID 12676116

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutyl(methyl)amino]ethanol?
The IUPAC name of 2-[4-aminobutyl(methyl)amino]ethanol (CID 12647849) is 2-[4-aminobutyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[4-aminobutyl(methyl)amino]ethanol?
The canonical SMILES for 2-[4-aminobutyl(methyl)amino]ethanol is CN(CCO)CCCCN.
What is the InChIKey of 2-[4-aminobutyl(methyl)amino]ethanol?
The InChIKey is XOLPYHDVWHTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-9(6-7-10)5-3-2-4-8/h10H,2-8H2,1H3.
What are the key properties of 2-[4-aminobutyl(methyl)amino]ethanol?
2-[4-aminobutyl(methyl)amino]ethanol has a molecular weight of 146.23 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutyl(methyl)amino]ethanol is sourced from PubChem (CID 12647849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).