2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine

C14H27N3O — CID 81199769

IUPAC2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine
SMILESCN1CCCC2CN(CC3CNCCO3)CCC21
InChIInChI=1S/C14H27N3O/c1-16-6-2-3-12-10-17(7-4-14(12)16)11-13-9-15-5-8-18-13/h12-15H,2-11H2,1H3
InChIKeyDHHQGWHSIAMLLG-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.39
Rot. Bonds2

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

2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine (PubChem CID 81199769) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine
PubChem CID81199769
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine
SMILESCN1CCCC2CN(CC3CNCCO3)CCC21
InChIInChI=1S/C14H27N3O/c1-16-6-2-3-12-10-17(7-4-14(12)16)11-13-9-15-5-8-18-13/h12-15H,2-11H2,1H3
InChIKeyDHHQGWHSIAMLLG-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(azetidin-1-ylmethyl)morpholine
CID 68846635
2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568
(2R)-2-(piperidin-1-ylmethyl)morpholine
CID 7107506
2-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 53407663
1-methyl-6-[(2-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199045
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]morpholine
CID 63621251
1-methyl-6-(3-piperidin-3-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200392
2-[(3-methylazetidin-1-yl)methyl]morpholine
CID 115324331
3-(morpholin-2-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66394047
2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-2-amine
CID 81200290
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol
CID 81200547

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine?
The IUPAC name of 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine (CID 81199769) is 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine.
What is the SMILES notation for 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine?
The canonical SMILES for 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine is CN1CCCC2CN(CC3CNCCO3)CCC21.
What is the InChIKey of 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine?
The InChIKey is DHHQGWHSIAMLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-6-2-3-12-10-17(7-4-14(12)16)11-13-9-15-5-8-18-13/h12-15H,2-11H2,1H3.
What are the key properties of 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine?
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine has a molecular weight of 253.39 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]morpholine is sourced from PubChem (CID 81199769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).