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

C15H26N4O — CID 169202072

IUPAC2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
SMILESCC(C)N1C2CCC1CN(Cc1cn(CCO)cn1)C2
InChIInChI=1S/C15H26N4O/c1-12(2)19-14-3-4-15(19)10-18(9-14)8-13-7-17(5-6-20)11-16-13/h7,11-12,14-15,20H,3-6,8-10H2,1-2H3
InChIKeyVVFPAMCXTHTWPD-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.93
Rot. Bonds5

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

2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol (PubChem CID 169202072) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
PubChem CID169202072
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
SMILESCC(C)N1C2CCC1CN(Cc1cn(CCO)cn1)C2
InChIInChI=1S/C15H26N4O/c1-12(2)19-14-3-4-15(19)10-18(9-14)8-13-7-17(5-6-20)11-16-13/h7,11-12,14-15,20H,3-6,8-10H2,1-2H3
InChIKeyVVFPAMCXTHTWPD-UHFFFAOYSA-N
XLogP0.93
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol (CID 169202072) is 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol is CC(C)N1C2CCC1CN(Cc1cn(CCO)cn1)C2.
What is the InChIKey of 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The InChIKey is VVFPAMCXTHTWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)19-14-3-4-15(19)10-18(9-14)8-13-7-17(5-6-20)11-16-13/h7,11-12,14-15,20H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol is sourced from PubChem (CID 169202072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).