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

C15H28N4O — CID 169201833

IUPACethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
SMILESCC.CN1C2CCC1CN(Cc1cn(CCO)cn1)C2
InChIInChI=1S/C13H22N4O.C2H6/c1-15-12-2-3-13(15)9-17(8-12)7-11-6-16(4-5-18)10-14-11;1-2/h6,10,12-13,18H,2-5,7-9H2,1H3;1-2H3
InChIKeyCZUZFVRNQXFRCJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.18
Rot. Bonds4

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

ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol (PubChem CID 169201833) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol.

Molecular Properties

Compound Nameethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
PubChem CID169201833
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Nameethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol
SMILESCC.CN1C2CCC1CN(Cc1cn(CCO)cn1)C2
InChIInChI=1S/C13H22N4O.C2H6/c1-15-12-2-3-13(15)9-17(8-12)7-11-6-16(4-5-18)10-14-11;1-2/h6,10,12-13,18H,2-5,7-9H2,1H3;1-2H3
InChIKeyCZUZFVRNQXFRCJ-UHFFFAOYSA-N
XLogP1.18
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The IUPAC name of ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol (CID 169201833) is ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol.
What is the SMILES notation for ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The canonical SMILES for ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol is CC.CN1C2CCC1CN(Cc1cn(CCO)cn1)C2.
What is the InChIKey of ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
The InChIKey is CZUZFVRNQXFRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.C2H6/c1-15-12-2-3-13(15)9-17(8-12)7-11-6-16(4-5-18)10-14-11;1-2/h6,10,12-13,18H,2-5,7-9H2,1H3;1-2H3.
What are the key properties of ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol?
ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol has a molecular weight of 280.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazol-1-yl]ethanol is sourced from PubChem (CID 169201833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).