2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol

C13H28N2O — CID 102871030

IUPAC2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
SMILESCCC(C)(CNC)CN(CCO)C1CCC1
InChIInChI=1S/C13H28N2O/c1-4-13(2,10-14-3)11-15(8-9-16)12-6-5-7-12/h12,14,16H,4-11H2,1-3H3
InChIKeyUKKFAZBHUGLRJK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds8

About 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol

2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol (PubChem CID 102871030) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
PubChem CID102871030
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
SMILESCCC(C)(CNC)CN(CCO)C1CCC1
InChIInChI=1S/C13H28N2O/c1-4-13(2,10-14-3)11-15(8-9-16)12-6-5-7-12/h12,14,16H,4-11H2,1-3H3
InChIKeyUKKFAZBHUGLRJK-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl-[2-(ethylaminomethyl)-2-methylbutyl]amino]ethanol
CID 102870942
2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol
CID 62270068
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
CID 62275681
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
CID 62258926
2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol
CID 62260812
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62263510
2-[cyclopropyl-[2-methyl-3-(methylamino)-2-phenylpropyl]amino]ethanol
CID 55056120
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 102677025
2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
CID 66452348
2-[cyclobutyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 102870900

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol (CID 102871030) is 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol is CCC(C)(CNC)CN(CCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol?
The InChIKey is UKKFAZBHUGLRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(2,10-14-3)11-15(8-9-16)12-6-5-7-12/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol?
2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol is sourced from PubChem (CID 102871030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).