spiro[2.2]pentan-2-ylmethanamine

C6H11N — CID 82593531

IUPACspiro[2.2]pentan-2-ylmethanamine
SMILESNCC1CC12CC2
InChIInChI=1S/C6H11N/c7-4-5-3-6(5)1-2-6/h5H,1-4,7H2
InChIKeyZCVJMMXCYUHRKP-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.75
Rot. Bonds1

About spiro[2.2]pentan-2-ylmethanamine

spiro[2.2]pentan-2-ylmethanamine (PubChem CID 82593531) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is spiro[2.2]pentan-2-ylmethanamine.

Molecular Properties

Compound Namespiro[2.2]pentan-2-ylmethanamine
PubChem CID82593531
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Namespiro[2.2]pentan-2-ylmethanamine
SMILESNCC1CC12CC2
InChIInChI=1S/C6H11N/c7-4-5-3-6(5)1-2-6/h5H,1-4,7H2
InChIKeyZCVJMMXCYUHRKP-UHFFFAOYSA-N
XLogP0.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[2.2]pentan-2-ylmethanamine?
The IUPAC name of spiro[2.2]pentan-2-ylmethanamine (CID 82593531) is spiro[2.2]pentan-2-ylmethanamine.
What is the SMILES notation for spiro[2.2]pentan-2-ylmethanamine?
The canonical SMILES for spiro[2.2]pentan-2-ylmethanamine is NCC1CC12CC2.
What is the InChIKey of spiro[2.2]pentan-2-ylmethanamine?
The InChIKey is ZCVJMMXCYUHRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c7-4-5-3-6(5)1-2-6/h5H,1-4,7H2.
What are the key properties of spiro[2.2]pentan-2-ylmethanamine?
spiro[2.2]pentan-2-ylmethanamine has a molecular weight of 97.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.2]pentan-2-ylmethanamine is sourced from PubChem (CID 82593531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).