[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

C17H32N4 — CID 81199454

IUPAC[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCN1CCCC2CN(C3(CN)CN4CCC3CC4)CCC21
InChIInChI=1S/C17H32N4/c1-19-7-2-3-14-11-21(10-6-16(14)19)17(12-18)13-20-8-4-15(17)5-9-20/h14-16H,2-13,18H2,1H3
InChIKeyZPDCNFMPPPTNKI-UHFFFAOYSA-N
MW292.47 g/mol
LogP0.83
Rot. Bonds2

About [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine

[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (PubChem CID 81199454) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
PubChem CID81199454
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
SMILESCN1CCCC2CN(C3(CN)CN4CCC3CC4)CCC21
InChIInChI=1S/C17H32N4/c1-19-7-2-3-14-11-21(10-6-16(14)19)17(12-18)13-20-8-4-15(17)5-9-20/h14-16H,2-13,18H2,1H3
InChIKeyZPDCNFMPPPTNKI-UHFFFAOYSA-N
XLogP0.83
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine with MolForge

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Related Compounds

[3-(3-methylpyrrolidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 61226965
[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine
CID 81199444
[3-(3-ethylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43584395
[3-(4-methylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 43121734
[1-ethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)piperidin-4-yl]methanamine
CID 81199467
[3-(4-propan-2-ylpiperidin-1-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine
CID 103494661
[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199459
[3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199474
[2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine
CID 81199448
[1-(aminomethyl)cyclobutyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81196992
[1-(aminomethyl)-3-methylcyclobutyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81197523
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
CID 104711109

Frequently Asked Questions

What is the IUPAC name of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The IUPAC name of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine (CID 81199454) is [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine.
What is the SMILES notation for [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The canonical SMILES for [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is CN1CCCC2CN(C3(CN)CN4CCC3CC4)CCC21.
What is the InChIKey of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
The InChIKey is ZPDCNFMPPPTNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-19-7-2-3-14-11-21(10-6-16(14)19)17(12-18)13-20-8-4-15(17)5-9-20/h14-16H,2-13,18H2,1H3.
What are the key properties of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine?
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine has a molecular weight of 292.47 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-azabicyclo[2.2.2]octan-3-yl]methanamine is sourced from PubChem (CID 81199454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).