1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one

C19H35NO — CID 116588294

IUPAC1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one
SMILESCCCCCCCCCCC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C19H35NO/c1-2-3-4-5-6-7-8-9-10-19(21)15-16-13-17-11-12-18(14-16)20-17/h16-18,20H,2-15H2,1H3
InChIKeyHNSVDPDWMIQBMM-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.01
Rot. Bonds11

About 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one

1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one (PubChem CID 116588294) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one.

Molecular Properties

Compound Name1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one
PubChem CID116588294
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one
SMILESCCCCCCCCCCC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C19H35NO/c1-2-3-4-5-6-7-8-9-10-19(21)15-16-13-17-11-12-18(14-16)20-17/h16-18,20H,2-15H2,1H3
InChIKeyHNSVDPDWMIQBMM-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.01
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-(8-azabicyclo[3.2.1]octan-3-yl)decan-2-one
CID 116588219
1-(8-azabicyclo[3.2.1]octan-3-yl)octan-2-one
CID 116588352
1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one
CID 171941682
1-cyclopentylundecan-2-one
CID 114966416
1-cyclopentylheptadecan-2-one
CID 142770613
1-piperidin-4-ylundecan-2-one
CID 116559812
1-(8-azabicyclo[3.2.1]octan-3-yl)hept-6-yn-2-one
CID 116588315
1-cyclohexylnonan-2-one
CID 22768059
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
CID 107146892
1-piperidin-4-ylhexan-2-one
CID 116559845
1-cyclopropyltritriacontan-16-one
CID 175774225

Frequently Asked Questions

What is the IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one?
The IUPAC name of 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one (CID 116588294) is 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one.
What is the SMILES notation for 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one?
The canonical SMILES for 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one is CCCCCCCCCCC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one?
The InChIKey is HNSVDPDWMIQBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-3-4-5-6-7-8-9-10-19(21)15-16-13-17-11-12-18(14-16)20-17/h16-18,20H,2-15H2,1H3.
What are the key properties of 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one?
1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one has a molecular weight of 293.50 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one is sourced from PubChem (CID 116588294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).