3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone

C14H20N2O — CID 71099646

IUPAC3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESO=C(C1C2C3CCC(C3)C12)N1CC2CC(C1)N2
InChIInChI=1S/C14H20N2O/c17-14(16-5-9-4-10(6-16)15-9)13-11-7-1-2-8(3-7)12(11)13/h7-13,15H,1-6H2
InChIKeyRZEGPTFWRZHHGO-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.85
Rot. Bonds1

About 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone

3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone (PubChem CID 71099646) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone.

Molecular Properties

Compound Name3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
PubChem CID71099646
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESO=C(C1C2C3CCC(C3)C12)N1CC2CC(C1)N2
InChIInChI=1S/C14H20N2O/c17-14(16-5-9-4-10(6-16)15-9)13-11-7-1-2-8(3-7)12(11)13/h7-13,15H,1-6H2
InChIKeyRZEGPTFWRZHHGO-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone with MolForge

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 103761920
(3-amino-5-methylpiperidin-1-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097099
(3-hydroxypiperidin-1-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 113256799
[4-(2-bromoethyl)piperazin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097199
2-adamantyl(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81486334
4-(tricyclo[3.2.1.02,4]octane-3-carbonyl)morpholine-2-carbonitrile
CID 103761814
methyl (3S)-1-(tricyclo[3.2.1.02,4]octane-3-carbonyl)piperidine-3-carboxylate
CID 103760898
[3-(1-aminoethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119595332
[4-(methylaminomethyl)piperidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 119545418
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
CID 120743423
cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 66548386
(3aR,6aR)-5-[(1R,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 154869230

Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The IUPAC name of 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone (CID 71099646) is 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone.
What is the SMILES notation for 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The canonical SMILES for 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone is O=C(C1C2C3CCC(C3)C12)N1CC2CC(C1)N2.
What is the InChIKey of 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The InChIKey is RZEGPTFWRZHHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(16-5-9-4-10(6-16)15-9)13-11-7-1-2-8(3-7)12(11)13/h7-13,15H,1-6H2.
What are the key properties of 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone?
3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone has a molecular weight of 232.33 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.1.1]heptan-3-yl(3-tricyclo[3.2.1.02,4]octanyl)methanone is sourced from PubChem (CID 71099646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).