2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol

C13H22N4O — CID 169201834

IUPAC2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
SMILESCN1C2CCC1CN(Cc1cn(CCO)cn1)C2
InChIInChI=1S/C13H22N4O/c1-15-12-2-3-13(15)9-17(8-12)7-11-6-16(4-5-18)10-14-11/h6,10,12-13,18H,2-5,7-9H2,1H3
InChIKeyNTLXJVXYBCSKQH-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.15
Rot. Bonds4

About 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol

2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol (PubChem CID 169201834) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
PubChem CID169201834
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
SMILESCN1C2CCC1CN(Cc1cn(CCO)cn1)C2
InChIInChI=1S/C13H22N4O/c1-15-12-2-3-13(15)9-17(8-12)7-11-6-16(4-5-18)10-14-11/h6,10,12-13,18H,2-5,7-9H2,1H3
InChIKeyNTLXJVXYBCSKQH-UHFFFAOYSA-N
XLogP0.15
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol with MolForge

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Related Compounds

1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493559
7-(Oxolan-3-yl)-3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 118745773
2-[4-[(3-Propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 66153268
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
(3'S*,4'S*)-1'-[(1-ethyl-1H-imidazol-5-yl)methyl]-1,3'-bipyrrolidin-4'-ol
CID 77089560
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 91776525
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 124753447
[(2S,4S)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 137844868
[1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91774145
N,N-dimethyl-1-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanamine
CID 59927709
1-[[1-[(dimethylamino)methyl]imidazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 66599473
(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)methanol
CID 167225253

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol (CID 169201834) is 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol is CN1C2CCC1CN(Cc1cn(CCO)cn1)C2.
What is the InChIKey of 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The InChIKey is NTLXJVXYBCSKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-15-12-2-3-13(15)9-17(8-12)7-11-6-16(4-5-18)10-14-11/h6,10,12-13,18H,2-5,7-9H2,1H3.
What are the key properties of 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol has a molecular weight of 250.35 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol is sourced from PubChem (CID 169201834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).