2-pentan-3-yl-2-azabicyclo[2.2.2]octane

C12H23N — CID 146362019

IUPAC2-pentan-3-yl-2-azabicyclo[2.2.2]octane
SMILESCCC(CC)N1CC2CCC1CC2
InChIInChI=1S/C12H23N/c1-3-11(4-2)13-9-10-5-7-12(13)8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyKJPIXENQJGOHJT-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds3

About 2-pentan-3-yl-2-azabicyclo[2.2.2]octane

2-pentan-3-yl-2-azabicyclo[2.2.2]octane (PubChem CID 146362019) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-pentan-3-yl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-pentan-3-yl-2-azabicyclo[2.2.2]octane
PubChem CID146362019
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-pentan-3-yl-2-azabicyclo[2.2.2]octane
SMILESCCC(CC)N1CC2CCC1CC2
InChIInChI=1S/C12H23N/c1-3-11(4-2)13-9-10-5-7-12(13)8-6-10/h10-12H,3-9H2,1-2H3
InChIKeyKJPIXENQJGOHJT-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-azabicyclo[2.2.2]octan-2-yl)pentan-3-one
CID 130595111
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylpentan-1-amine
CID 83054296
2-propyl-2-azabicyclo[2.2.2]octane
CID 15173898
methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate
CID 130595097
(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol
CID 101210621
N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)propyl]cyclopropanamine
CID 62435634
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethylpentan-2-amine
CID 64706173
2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
CID 174261513
2-pentan-3-yl-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931014
ethane;1-[1-(2-methylphenyl)pentan-2-yl]piperidine;2-(1-phenylpentan-2-yl)-2-azabicyclo[2.2.2]octane
CID 176959489
(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol
CID 130595131
8-hexan-3-yl-8-azabicyclo[3.2.1]octan-3-one
CID 62739793

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2-pentan-3-yl-2-azabicyclo[2.2.2]octane (CID 146362019) is 2-pentan-3-yl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-pentan-3-yl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-pentan-3-yl-2-azabicyclo[2.2.2]octane is CCC(CC)N1CC2CCC1CC2.
What is the InChIKey of 2-pentan-3-yl-2-azabicyclo[2.2.2]octane?
The InChIKey is KJPIXENQJGOHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-11(4-2)13-9-10-5-7-12(13)8-6-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-pentan-3-yl-2-azabicyclo[2.2.2]octane?
2-pentan-3-yl-2-azabicyclo[2.2.2]octane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 146362019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).