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

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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).