8-heptyl-8-azabicyclo[3.2.1]octane

C14H27N — CID 138507431

IUPAC8-heptyl-8-azabicyclo[3.2.1]octane
SMILESCCCCCCCN1C2CCCC1CC2
InChIInChI=1S/C14H27N/c1-2-3-4-5-6-12-15-13-8-7-9-14(15)11-10-13/h13-14H,2-12H2,1H3
InChIKeyCIVGCICGJRTGOJ-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.97
Rot. Bonds6

About 8-heptyl-8-azabicyclo[3.2.1]octane

8-heptyl-8-azabicyclo[3.2.1]octane (PubChem CID 138507431) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 8-heptyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-heptyl-8-azabicyclo[3.2.1]octane
PubChem CID138507431
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name8-heptyl-8-azabicyclo[3.2.1]octane
SMILESCCCCCCCN1C2CCCC1CC2
InChIInChI=1S/C14H27N/c1-2-3-4-5-6-12-15-13-8-7-9-14(15)11-10-13/h13-14H,2-12H2,1H3
InChIKeyCIVGCICGJRTGOJ-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2,6-dimethylpiperidine
CID 6428887
8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 20524111
3-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
CID 130741046
ethane;(1S,5R)-3-pentyl-8-propyl-3,8-diazabicyclo[3.2.1]octane
CID 167520832
(1S,5R)-3-(5-methylheptyl)-8-octyl-3,8-diazabicyclo[3.2.1]octane
CID 170008963
(1-heptyl-6-methylpiperidin-2-yl)methanamine
CID 63554513
3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 165145974
heptane;methoxymethane;methylcyclobutane
CID 168881474
9-(3-propoxypropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 82946979
8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide
CID 172885108
(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
CID 156795020
(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857

Frequently Asked Questions

What is the IUPAC name of 8-heptyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-heptyl-8-azabicyclo[3.2.1]octane (CID 138507431) is 8-heptyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-heptyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-heptyl-8-azabicyclo[3.2.1]octane is CCCCCCCN1C2CCCC1CC2.
What is the InChIKey of 8-heptyl-8-azabicyclo[3.2.1]octane?
The InChIKey is CIVGCICGJRTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-2-3-4-5-6-12-15-13-8-7-9-14(15)11-10-13/h13-14H,2-12H2,1H3.
What are the key properties of 8-heptyl-8-azabicyclo[3.2.1]octane?
8-heptyl-8-azabicyclo[3.2.1]octane has a molecular weight of 209.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-heptyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 138507431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).