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

C17H26N4 — CID 79960772

IUPACN-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
SMILESCCNC(C1CCc2cccnc21)C1CN2CCN1CC2
InChIInChI=1S/C17H26N4/c1-2-18-17(15-12-20-8-10-21(15)11-9-20)14-6-5-13-4-3-7-19-16(13)14/h3-4,7,14-15,17-18H,2,5-6,8-12H2,1H3
InChIKeyWXSNMHVXADJAMR-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.09
Rot. Bonds4

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

N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine (PubChem CID 79960772) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
PubChem CID79960772
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
SMILESCCNC(C1CCc2cccnc21)C1CN2CCN1CC2
InChIInChI=1S/C17H26N4/c1-2-18-17(15-12-20-8-10-21(15)11-9-20)14-6-5-13-4-3-7-19-16(13)14/h3-4,7,14-15,17-18H,2,5-6,8-12H2,1H3
InChIKeyWXSNMHVXADJAMR-UHFFFAOYSA-N
XLogP1.09
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 79973803
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 79740041
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(1,4-dithian-2-yl)methyl]ethanamine
CID 79966609
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 116761197
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-ethoxy-N-ethylpropan-1-amine
CID 105166170
N-[oxan-2-yl(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007360
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79747811
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 79748872
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-diethoxy-N-ethylethanamine
CID 79748328

Frequently Asked Questions

What is the IUPAC name of N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine?
The IUPAC name of N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine (CID 79960772) is N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine.
What is the SMILES notation for N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine?
The canonical SMILES for N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine is CCNC(C1CCc2cccnc21)C1CN2CCN1CC2.
What is the InChIKey of N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine?
The InChIKey is WXSNMHVXADJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-18-17(15-12-20-8-10-21(15)11-9-20)14-6-5-13-4-3-7-19-16(13)14/h3-4,7,14-15,17-18H,2,5-6,8-12H2,1H3.
What are the key properties of N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine?
N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine is sourced from PubChem (CID 79960772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).