3-butyl-8-azabicyclo[3.2.1]octane

C11H21N — CID 68907966

IUPAC3-butyl-8-azabicyclo[3.2.1]octane
SMILESCCCCC1CC2CCC(C1)N2
InChIInChI=1S/C11H21N/c1-2-3-4-9-7-10-5-6-11(8-9)12-10/h9-12H,2-8H2,1H3
InChIKeyNZNNOIBGTIMFPV-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.71
Rot. Bonds3

About 3-butyl-8-azabicyclo[3.2.1]octane

3-butyl-8-azabicyclo[3.2.1]octane (PubChem CID 68907966) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-butyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-butyl-8-azabicyclo[3.2.1]octane
PubChem CID68907966
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-butyl-8-azabicyclo[3.2.1]octane
SMILESCCCCC1CC2CCC(C1)N2
InChIInChI=1S/C11H21N/c1-2-3-4-9-7-10-5-6-11(8-9)12-10/h9-12H,2-8H2,1H3
InChIKeyNZNNOIBGTIMFPV-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-3,5-dipropylcyclohexane
CID 145132341
2-(8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 79614840
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine
CID 107815883
1-(8-azabicyclo[3.2.1]octan-3-yl)dodecan-2-one
CID 116588294
1-(8-azabicyclo[3.2.1]octan-3-yl)octan-2-one
CID 116588352
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 79615192
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
1-(bromomethyl)-3-butylcyclobutane
CID 86245492
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-methylethanamine
CID 79615266
3-butylazetidine
CID 20827268
3-butyl-6-methylbicyclo[3.1.1]heptane
CID 147909490

Frequently Asked Questions

What is the IUPAC name of 3-butyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-butyl-8-azabicyclo[3.2.1]octane (CID 68907966) is 3-butyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-butyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-butyl-8-azabicyclo[3.2.1]octane is CCCCC1CC2CCC(C1)N2.
What is the InChIKey of 3-butyl-8-azabicyclo[3.2.1]octane?
The InChIKey is NZNNOIBGTIMFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-9-7-10-5-6-11(8-9)12-10/h9-12H,2-8H2,1H3.
What are the key properties of 3-butyl-8-azabicyclo[3.2.1]octane?
3-butyl-8-azabicyclo[3.2.1]octane has a molecular weight of 167.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 68907966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).