6-propan-2-yl-6-azabicyclo[3.2.1]octane

C10H19N — CID 45095908

IUPAC6-propan-2-yl-6-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCCC1C2
InChIInChI=1S/C10H19N/c1-8(2)11-7-9-4-3-5-10(11)6-9/h8-10H,3-7H2,1-2H3
InChIKeyVYSKUTTYZHAEJY-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds1

About 6-propan-2-yl-6-azabicyclo[3.2.1]octane

6-propan-2-yl-6-azabicyclo[3.2.1]octane (PubChem CID 45095908) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 6-propan-2-yl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-propan-2-yl-6-azabicyclo[3.2.1]octane
PubChem CID45095908
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name6-propan-2-yl-6-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CCCC1C2
InChIInChI=1S/C10H19N/c1-8(2)11-7-9-4-3-5-10(11)6-9/h8-10H,3-7H2,1-2H3
InChIKeyVYSKUTTYZHAEJY-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-2-azabicyclo[3.3.2]decane
CID 21027698
2-propan-2-yl-2-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)ethanone
CID 165053063
6-propan-2-yl-3-thia-6-azabicyclo[3.2.1]octane
CID 176597024
2-propan-2-yl-3-(6-propan-2-yl-6-azabicyclo[3.2.2]nonan-8-yl)-2-azabicyclo[3.2.2]nonane
CID 170004182
3-propan-2-yl-3-azabicyclo[4.3.1]decane
CID 121313326
6-tert-butyl-6-azabicyclo[3.2.1]octane
CID 153491969
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
ethane;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;1-methylazetidine;6-propan-2-yl-6-azabicyclo[3.2.1]octane;1-propan-2-ylazepane;1-propan-2-ylazocane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;4-propan-2-ylthiomorpholine
CID 159264409
8-methyl-8-azabicyclo[3.2.1]octane;2-methylpropane
CID 177033285
6-propan-2-yl-6-azabicyclo[3.2.1]octan-2-ol
CID 117050678
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
CID 176748091

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-6-azabicyclo[3.2.1]octane?
The IUPAC name of 6-propan-2-yl-6-azabicyclo[3.2.1]octane (CID 45095908) is 6-propan-2-yl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-propan-2-yl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-propan-2-yl-6-azabicyclo[3.2.1]octane is CC(C)N1CC2CCCC1C2.
What is the InChIKey of 6-propan-2-yl-6-azabicyclo[3.2.1]octane?
The InChIKey is VYSKUTTYZHAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)11-7-9-4-3-5-10(11)6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-6-azabicyclo[3.2.1]octane?
6-propan-2-yl-6-azabicyclo[3.2.1]octane has a molecular weight of 153.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 45095908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).