1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

C15H22N4 — CID 79973803

IUPAC1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(C1CCc2cccnc21)C1CN2CCN1CC2
InChIInChI=1S/C15H22N4/c16-14(13-10-18-6-8-19(13)9-7-18)12-4-3-11-2-1-5-17-15(11)12/h1-2,5,12-14H,3-4,6-10,16H2
InChIKeyMJCIMLGDPNIPBS-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.44
Rot. Bonds2

About 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (PubChem CID 79973803) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
PubChem CID79973803
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(C1CCc2cccnc21)C1CN2CCN1CC2
InChIInChI=1S/C15H22N4/c16-14(13-10-18-6-8-19(13)9-7-18)12-4-3-11-2-1-5-17-15(11)12/h1-2,5,12-14H,3-4,6-10,16H2
InChIKeyMJCIMLGDPNIPBS-UHFFFAOYSA-N
XLogP0.44
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine with MolForge

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Related Compounds

N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79960772
cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 80604020
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,2-dimethylcyclopropyl)methanamine
CID 107004734
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 79740055
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105166161
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-propylpentan-1-amine
CID 105009869
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105007390
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylbutan-1-amine
CID 79748029
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 79748155
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(naphthalen-2-yl)methanamine
CID 79732489
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-propylcyclohexyl)methanamine
CID 79747770

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The IUPAC name of 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (CID 79973803) is 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.
What is the SMILES notation for 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The canonical SMILES for 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is NC(C1CCc2cccnc21)C1CN2CCN1CC2.
What is the InChIKey of 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The InChIKey is MJCIMLGDPNIPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-14(13-10-18-6-8-19(13)9-7-18)12-4-3-11-2-1-5-17-15(11)12/h1-2,5,12-14H,3-4,6-10,16H2.
What are the key properties of 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine has a molecular weight of 258.37 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is sourced from PubChem (CID 79973803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).