2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol

C13H28N2O — CID 62270068

IUPAC2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol
SMILESCCCC(C)(CNC)CN(CCO)C1CC1
InChIInChI=1S/C13H28N2O/c1-4-7-13(2,10-14-3)11-15(8-9-16)12-5-6-12/h12,14,16H,4-11H2,1-3H3
InChIKeyKBYKXAGHRFGCFQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds9

About 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol

2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol (PubChem CID 62270068) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol
PubChem CID62270068
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol
SMILESCCCC(C)(CNC)CN(CCO)C1CC1
InChIInChI=1S/C13H28N2O/c1-4-7-13(2,10-14-3)11-15(8-9-16)12-5-6-12/h12,14,16H,4-11H2,1-3H3
InChIKeyKBYKXAGHRFGCFQ-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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-methyl-2-(methylaminomethyl)butyl]amino]ethanol
CID 102871030
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
2-[[2-methyl-2-(methylaminomethyl)pentyl]-propylamino]ethanol
CID 62260772
N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 55197311
2-[cyclobutyl-[2-(ethylaminomethyl)-2-methylbutyl]amino]ethanol
CID 102870942
2-[cyclopropyl-[2-methyl-3-(methylamino)-2-phenylpropyl]amino]ethanol
CID 55056120
N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78944177
N',2-dimethyl-N,N,2-tripropylpropane-1,3-diamine
CID 62264130
2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
CID 66455172
2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol
CID 64997494
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
2-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-propan-2-ylamino]ethanol
CID 62272798

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol (CID 62270068) is 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol is CCCC(C)(CNC)CN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol?
The InChIKey is KBYKXAGHRFGCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-13(2,10-14-3)11-15(8-9-16)12-5-6-12/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol?
2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol is sourced from PubChem (CID 62270068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).