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

C17H33N3O — CID 81199448

IUPAC[2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine
SMILESCN1CCCC2CN(C3(CN)CCOC(C)(C)C3)CCC21
InChIInChI=1S/C17H33N3O/c1-16(2)12-17(13-18,7-10-21-16)20-9-6-15-14(11-20)5-4-8-19(15)3/h14-15H,4-13,18H2,1-3H3
InChIKeyGXVPPXZHRVKNJH-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.69
Rot. Bonds2

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

[2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine (PubChem CID 81199448) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is [2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine
PubChem CID81199448
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name[2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine
SMILESCN1CCCC2CN(C3(CN)CCOC(C)(C)C3)CCC21
InChIInChI=1S/C17H33N3O/c1-16(2)12-17(13-18,7-10-21-16)20-9-6-15-14(11-20)5-4-8-19(15)3/h14-15H,4-13,18H2,1-3H3
InChIKeyGXVPPXZHRVKNJH-UHFFFAOYSA-N
XLogP1.69
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3,3-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199474
[1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclooctyl]methanamine
CID 81199444
[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-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199459
[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
[1-(aminomethyl)cyclobutyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81196992
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxolan-3-amine
CID 81199039
2,2-dimethyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclopentan-1-amine
CID 81199726
[4-(4,4-dimethylazepan-1-yl)-2-ethyl-2-methyloxan-4-yl]methanamine
CID 65283239
[3,3-dimethyl-1-(3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705682
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,3,5-trimethylcyclohexyl]methanamine
CID 43620259
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine?
The IUPAC name of [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) is [2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine?
The canonical SMILES for [2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine is CN1CCCC2CN(C3(CN)CCOC(C)(C)C3)CCC21.
What is the InChIKey of [2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine?
The InChIKey is GXVPPXZHRVKNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-16(2)12-17(13-18,7-10-21-16)20-9-6-15-14(11-20)5-4-8-19(15)3/h14-15H,4-13,18H2,1-3H3.
What are the key properties of [2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine?
[2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine has a molecular weight of 295.47 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 81199448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).