(1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine

C8H15AlN2 — CID 163853730

IUPAC(1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESC=[Al]N1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C7H13N2.CH2.Al/c8-7-5-1-2-6(7)4-9-3-5;;/h5-7H,1-4,8H2;1H2;/q-1;;+1/t5-,6+,7?;;
InChIKeyOWODUEWHFRKQSH-HNDCNWDXSA-N
MW166.20 g/mol
LogP-0.29
Rot. Bonds1

About (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine

(1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 163853730) has the molecular formula C8H15AlN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name(1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID163853730
Molecular FormulaC8H15AlN2
Molecular Weight166.20 g/mol
Exact Mass166.11
IUPAC Name(1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESC=[Al]N1C[C@H]2CC[C@@H](C1)C2N
InChIInChI=1S/C7H13N2.CH2.Al/c8-7-5-1-2-6(7)4-9-3-5;;/h5-7H,1-4,8H2;1H2;/q-1;;+1/t5-,6+,7?;;
InChIKeyOWODUEWHFRKQSH-HNDCNWDXSA-N
XLogP-0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine (CID 163853730) is (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine is C=[Al]N1C[C@H]2CC[C@@H](C1)C2N.
What is the InChIKey of (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is OWODUEWHFRKQSH-HNDCNWDXSA-N. The full InChI is InChI=1S/C7H13N2.CH2.Al/c8-7-5-1-2-6(7)4-9-3-5;;/h5-7H,1-4,8H2;1H2;/q-1;;+1/t5-,6+,7?;;.
What are the key properties of (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine?
(1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 166.20 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methylidenealumanyl-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 163853730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).