bicyclo[2.2.2]octan-2-amine

C8H15N — CID 13239288

IUPACbicyclo[2.2.2]octan-2-amine
SMILESNC1CC2CCC1CC2
InChIInChI=1S/C8H15N/c9-8-5-6-1-3-7(8)4-2-6/h6-8H,1-5,9H2
InChIKeyMCLJDHWIDXKUBS-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.52
Rot. Bonds

About bicyclo[2.2.2]octan-2-amine

bicyclo[2.2.2]octan-2-amine (PubChem CID 13239288) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is bicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound Namebicyclo[2.2.2]octan-2-amine
PubChem CID13239288
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Namebicyclo[2.2.2]octan-2-amine
SMILESNC1CC2CCC1CC2
InChIInChI=1S/C8H15N/c9-8-5-6-1-3-7(8)4-2-6/h6-8H,1-5,9H2
InChIKeyMCLJDHWIDXKUBS-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
bicyclo[2.2.1]heptan-2-amine;platinum(2+)
CID 21144668
(2S)-bicyclo[2.2.1]heptan-2-amine;platinum(2+);propan-2-amine;dichloride
CID 56600530
tricyclo[5.3.2.04,9]dodecane
CID 54490019
(1S,5R,6R)-bicyclo[3.2.1]octan-6-amine
CID 14638743
(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
tricyclo[5.3.2.03,9]dodecan-4-amine
CID 89298731
cis-(1R,2S)-2-cyclopropylcyclopropan-1-amine
CID 91654438
(1R,2S,4R,5S)-bicyclo[2.2.1]heptane-2,5-diamine
CID 11423598
bicyclo[2.2.1]heptane-2,5-diamine
CID 4169642
2-bicyclo[2.2.2]octanylmethylhydrazine
CID 130632921
2-N-(9-tricyclo[4.3.1.13,8]undecanyl)bicyclo[2.2.2]octane-2,5-diamine
CID 166649485

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]octan-2-amine?
The IUPAC name of bicyclo[2.2.2]octan-2-amine (CID 13239288) is bicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for bicyclo[2.2.2]octan-2-amine?
The canonical SMILES for bicyclo[2.2.2]octan-2-amine is NC1CC2CCC1CC2.
What is the InChIKey of bicyclo[2.2.2]octan-2-amine?
The InChIKey is MCLJDHWIDXKUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c9-8-5-6-1-3-7(8)4-2-6/h6-8H,1-5,9H2.
What are the key properties of bicyclo[2.2.2]octan-2-amine?
bicyclo[2.2.2]octan-2-amine has a molecular weight of 125.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 13239288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).