1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

C16H26N4O — CID 79960403

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)C2CN3CCN2CC3)c1C
InChIInChI=1S/C16H26N4O/c1-11-9-18-14(12(2)16(11)21-3)8-13(17)15-10-19-4-6-20(15)7-5-19/h9,13,15H,4-8,10,17H2,1-3H3
InChIKeyUCQPVUCQWOBZNJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.58
Rot. Bonds4

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 79960403) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID79960403
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)C2CN3CCN2CC3)c1C
InChIInChI=1S/C16H26N4O/c1-11-9-18-14(12(2)16(11)21-3)8-13(17)15-10-19-4-6-20(15)7-5-19/h9,13,15H,4-8,10,17H2,1-3H3
InChIKeyUCQPVUCQWOBZNJ-UHFFFAOYSA-N
XLogP0.58
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine with MolForge

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 79663946
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(4,4-difluorocyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 105136919
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
1-cyclopropyl-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propane-1,2-diol
CID 103457017
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
CID 55095222
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
1-(1-methoxycyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 104610582
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927982

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (CID 79960403) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is COc1c(C)cnc(CC(N)C2CN3CCN2CC3)c1C.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is UCQPVUCQWOBZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-9-18-14(12(2)16(11)21-3)8-13(17)15-10-19-4-6-20(15)7-5-19/h9,13,15H,4-8,10,17H2,1-3H3.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 290.41 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 79960403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).