spiro[2.5]octan-8-amine

C8H15N — CID 55290527

IUPACspiro[2.5]octan-8-amine
SMILESNC1CCCCC12CC2
InChIInChI=1S/C8H15N/c9-7-3-1-2-4-8(7)5-6-8/h7H,1-6,9H2
InChIKeyWCSMCNIQVFJWAS-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.67
Rot. Bonds

About spiro[2.5]octan-8-amine

spiro[2.5]octan-8-amine (PubChem CID 55290527) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is spiro[2.5]octan-8-amine.

Molecular Properties

Compound Namespiro[2.5]octan-8-amine
PubChem CID55290527
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Namespiro[2.5]octan-8-amine
SMILESNC1CCCCC12CC2
InChIInChI=1S/C8H15N/c9-7-3-1-2-4-8(7)5-6-8/h7H,1-6,9H2
InChIKeyWCSMCNIQVFJWAS-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2.5]octan-8-amine?
The IUPAC name of spiro[2.5]octan-8-amine (CID 55290527) is spiro[2.5]octan-8-amine.
What is the SMILES notation for spiro[2.5]octan-8-amine?
The canonical SMILES for spiro[2.5]octan-8-amine is NC1CCCCC12CC2.
What is the InChIKey of spiro[2.5]octan-8-amine?
The InChIKey is WCSMCNIQVFJWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c9-7-3-1-2-4-8(7)5-6-8/h7H,1-6,9H2.
What are the key properties of spiro[2.5]octan-8-amine?
spiro[2.5]octan-8-amine has a molecular weight of 125.22 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.5]octan-8-amine is sourced from PubChem (CID 55290527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).