3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane

C15H24N4 — CID 114720708

IUPAC3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCN1C2CCCC1CC(n1cncc1C1CNC1)C2
InChIInChI=1S/C15H24N4/c1-18-12-3-2-4-13(18)6-14(5-12)19-10-17-9-15(19)11-7-16-8-11/h9-14,16H,2-8H2,1H3
InChIKeyGZHKORHXQOGNSC-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.76
Rot. Bonds2

About 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane

3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane (PubChem CID 114720708) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane
PubChem CID114720708
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane
SMILESCN1C2CCCC1CC(n1cncc1C1CNC1)C2
InChIInChI=1S/C15H24N4/c1-18-12-3-2-4-13(18)6-14(5-12)19-10-17-9-15(19)11-7-16-8-11/h9-14,16H,2-8H2,1H3
InChIKeyGZHKORHXQOGNSC-UHFFFAOYSA-N
XLogP1.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-3-yl)-1-(1-methylpyrrolidin-3-yl)imidazole
CID 114719037
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine
CID 114722747
5-(azetidin-3-yl)-1-(3-methoxy-2,2-dimethylcyclobutyl)imidazole
CID 114120912
4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 104966852
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706230
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
5-(azetidin-3-yl)-1-(3-methylsulfanylpropyl)imidazole
CID 114720540
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]piperidine
CID 114705510

Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane (CID 114720708) is 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane is CN1C2CCCC1CC(n1cncc1C1CNC1)C2.
What is the InChIKey of 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is GZHKORHXQOGNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-18-12-3-2-4-13(18)6-14(5-12)19-10-17-9-15(19)11-7-16-8-11/h9-14,16H,2-8H2,1H3.
What are the key properties of 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane?
3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 260.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidin-3-yl)imidazol-1-yl]-9-methyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 114720708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).