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

C16H31N3O — CID 81205829

IUPAC[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(N2CCC3C(CCCN3C)C2)C1
InChIInChI=1S/C16H31N3O/c1-17-16(12-20)7-5-14(10-16)19-9-6-15-13(11-19)4-3-8-18(15)2/h13-15,17,20H,3-12H2,1-2H3
InChIKeyRIPZNQIMTDDIOI-UHFFFAOYSA-N
MW281.44 g/mol
LogP0.91
Rot. Bonds3

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

[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol (PubChem CID 81205829) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol
PubChem CID81205829
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCC(N2CCC3C(CCCN3C)C2)C1
InChIInChI=1S/C16H31N3O/c1-17-16(12-20)7-5-14(10-16)19-9-6-15-13(11-19)4-3-8-18(15)2/h13-15,17,20H,3-12H2,1-2H3
InChIKeyRIPZNQIMTDDIOI-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81199939
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656071
[3-(3,4-dimethylpyrrolidin-1-yl)-1-(methylamino)cyclopentyl]methanol
CID 79646760
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640172
[1-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclopentyl]methanol
CID 79644724
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol
CID 81198941
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclobutan-1-amine
CID 81205762
[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(methylamino)cyclopentyl]methanol
CID 79656827
[3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclohexyl]methanol
CID 79633930
[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol
CID 79635369
[3-(2,2-dimethylmorpholin-4-yl)-1-(methylamino)cyclopentyl]methanol
CID 79656046
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81206109

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-(methylamino)cyclopentyl]methanol?
The IUPAC name of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol (CID 81205829) is [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCC(N2CCC3C(CCCN3C)C2)C1.
What is the InChIKey of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol?
The InChIKey is RIPZNQIMTDDIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-17-16(12-20)7-5-14(10-16)19-9-6-15-13(11-19)4-3-8-18(15)2/h13-15,17,20H,3-12H2,1-2H3.
What are the key properties of [3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol?
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1-(methylamino)cyclopentyl]methanol has a molecular weight of 281.44 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 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-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 81205829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).