3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine

C14H23N5 — CID 79974436

IUPAC3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine
SMILESCCNC(c1cccnc1N)C1CN2CCN1CC2
InChIInChI=1S/C14H23N5/c1-2-16-13(11-4-3-5-17-14(11)15)12-10-18-6-8-19(12)9-7-18/h3-5,12-13,16H,2,6-10H2,1H3,(H2,15,17)
InChIKeyFYFMJZPIQMEKDP-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.31
Rot. Bonds4

About 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine

3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine (PubChem CID 79974436) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine
PubChem CID79974436
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine
SMILESCCNC(c1cccnc1N)C1CN2CCN1CC2
InChIInChI=1S/C14H23N5/c1-2-16-13(11-4-3-5-17-14(11)15)12-10-18-6-8-19(12)9-7-18/h3-5,12-13,16H,2,6-10H2,1H3,(H2,15,17)
InChIKeyFYFMJZPIQMEKDP-UHFFFAOYSA-N
XLogP0.31
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1,4-diazabicyclo[2.2.2]octan-2-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105249962
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-difluorophenyl)methyl]ethanamine
CID 79974432
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(2-methylphenyl)methyl]propan-1-amine
CID 79974601
N-[1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79960772
N-[1,4-diazabicyclo[2.2.2]octan-2-yl(furan-3-yl)methyl]ethanamine
CID 79974921
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 79960968
N-[(4-bromo-3-chloro-2-fluorophenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]ethanamine
CID 106762792
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(5-methylthiophen-3-yl)methyl]ethanamine
CID 79974081
3-[3,4-dihydro-2H-chromen-3-yl(ethylamino)methyl]pyridin-2-amine
CID 65410111
N-[(3-chloro-4-methylphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]ethanamine
CID 107560540
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethylbutan-1-amine
CID 79973669
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]ethanamine
CID 114658168

Frequently Asked Questions

What is the IUPAC name of 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine (CID 79974436) is 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine is CCNC(c1cccnc1N)C1CN2CCN1CC2.
What is the InChIKey of 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine?
The InChIKey is FYFMJZPIQMEKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-16-13(11-4-3-5-17-14(11)15)12-10-18-6-8-19(12)9-7-18/h3-5,12-13,16H,2,6-10H2,1H3,(H2,15,17).
What are the key properties of 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine?
3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,4-diazabicyclo[2.2.2]octan-2-yl(ethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 79974436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).