2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane

C13H23N — CID 176769063

IUPAC2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC(C)C12CCC(CC1)CN2C1CC1
InChIInChI=1S/C13H23N/c1-10(2)13-7-5-11(6-8-13)9-14(13)12-3-4-12/h10-12H,3-9H2,1-2H3
InChIKeyFQJIDXHOWSYPPX-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.05
Rot. Bonds2

About 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane

2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane (PubChem CID 176769063) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane
PubChem CID176769063
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane
SMILESCC(C)C12CCC(CC1)CN2C1CC1
InChIInChI=1S/C13H23N/c1-10(2)13-7-5-11(6-8-13)9-14(13)12-3-4-12/h10-12H,3-9H2,1-2H3
InChIKeyFQJIDXHOWSYPPX-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

1-(2-azabicyclo[2.2.2]octan-2-yl)-2-methylpropan-1-one
CID 126972983
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-bromopropan-1-one
CID 107905003
(1R,4S)-2-cyclopropyl-2-azabicyclo[2.2.1]heptane-1-carbonyl chloride
CID 87078055
1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane
CID 58310329
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078715
2-pentan-3-yl-2-azabicyclo[2.2.2]octane
CID 146362019
N-methyl-1-(1-propan-2-ylcyclopropyl)pyrrolidin-3-amine
CID 131048590
2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
CID 158361324
2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-2-azabicyclo[2.2.2]octane
CID 174179731
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 114996562
methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate
CID 130595097
2-(2-azabicyclo[2.2.2]octan-2-yl)pentan-3-one
CID 130595111

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane (CID 176769063) is 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane is CC(C)C12CCC(CC1)CN2C1CC1.
What is the InChIKey of 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane?
The InChIKey is FQJIDXHOWSYPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)13-7-5-11(6-8-13)9-14(13)12-3-4-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane?
2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane has a molecular weight of 193.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-propan-2-yl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 176769063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).