2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol

C13H21N3O — CID 102870554

IUPAC2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol
SMILESCNc1cc(CN(CCO)C2CCC2)ccn1
InChIInChI=1S/C13H21N3O/c1-14-13-9-11(5-6-15-13)10-16(7-8-17)12-3-2-4-12/h5-6,9,12,17H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyWHOCGTLHDRJVBD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.47
Rot. Bonds6

About 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol

2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol (PubChem CID 102870554) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol
PubChem CID102870554
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol
SMILESCNc1cc(CN(CCO)C2CCC2)ccn1
InChIInChI=1S/C13H21N3O/c1-14-13-9-11(5-6-15-13)10-16(7-8-17)12-3-2-4-12/h5-6,9,12,17H,2-4,7-8,10H2,1H3,(H,14,15)
InChIKeyWHOCGTLHDRJVBD-UHFFFAOYSA-N
XLogP1.47
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
1-(4-Methylpyridin-2-yl)-3-(prop-2-en-1-yl)thiourea
CID 1900943
1-(2-Methoxyethyl)-3-(3-methylpyridin-2-yl)thiourea
CID 2239331
N-ethyl-N'-(4-methyl-2-pyridinyl)thiourea
CID 848970
Cyclohexyl-(3-methyl-pyridin-2-yl)-amine
CID 2366446
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
4-(aminomethyl)-N,N-dimethylpyridin-2-amine
CID 16787804
2-(2-Hydroxyethylamino)-pyridine hydrochloride
CID 2827516
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
N-(4-Methyl-2-pyridyl)acetamide
CID 220485

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol (CID 102870554) is 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol is CNc1cc(CN(CCO)C2CCC2)ccn1.
What is the InChIKey of 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol?
The InChIKey is WHOCGTLHDRJVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-13-9-11(5-6-15-13)10-16(7-8-17)12-3-2-4-12/h5-6,9,12,17H,2-4,7-8,10H2,1H3,(H,14,15).
What are the key properties of 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol?
2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]ethanol is sourced from PubChem (CID 102870554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).