1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one

C16H30N2O — CID 65427706

IUPAC1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-16(19)18-14-9-10-15(18)12-13(17)11-14/h13-15H,2-12,17H2,1H3
InChIKeyZWMVIFWJQONVRL-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.22
Rot. Bonds7

About 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one (PubChem CID 65427706) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one.

Molecular Properties

Compound Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one
PubChem CID65427706
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one
SMILESCCCCCCCCC(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-16(19)18-14-9-10-15(18)12-13(17)11-14/h13-15H,2-12,17H2,1H3
InChIKeyZWMVIFWJQONVRL-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pentan-1-one
CID 63763771
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-hydroxypropan-1-one
CID 130002803
butyl (1S,5R)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 175819768
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(3-aminopyrrolidin-1-yl)dodecan-1-one
CID 65428474
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]octan-1-one
CID 43596223
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]decan-1-one
CID 65428472
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 61233677
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
(5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146425848
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(2-methylphenyl)propan-1-one
CID 62366592
4-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 63769983

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one?
The IUPAC name of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one (CID 65427706) is 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one.
What is the SMILES notation for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one?
The canonical SMILES for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one is CCCCCCCCC(=O)N1C2CCC1CC(N)C2.
What is the InChIKey of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one?
The InChIKey is ZWMVIFWJQONVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-3-4-5-6-7-8-16(19)18-14-9-10-15(18)12-13(17)11-14/h13-15H,2-12,17H2,1H3.
What are the key properties of 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one?
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one has a molecular weight of 266.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)nonan-1-one is sourced from PubChem (CID 65427706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).