spiro[2.5]octan-6-ylmethanamine

C9H17N — CID 50998995

IUPACspiro[2.5]octan-6-ylmethanamine
SMILESNCC1CCC2(CC1)CC2
InChIInChI=1S/C9H17N/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7,10H2
InChIKeyJEDATJQHUZRDBE-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.92
Rot. Bonds1

About spiro[2.5]octan-6-ylmethanamine

spiro[2.5]octan-6-ylmethanamine (PubChem CID 50998995) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is spiro[2.5]octan-6-ylmethanamine.

Molecular Properties

Compound Namespiro[2.5]octan-6-ylmethanamine
PubChem CID50998995
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namespiro[2.5]octan-6-ylmethanamine
SMILESNCC1CCC2(CC1)CC2
InChIInChI=1S/C9H17N/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7,10H2
InChIKeyJEDATJQHUZRDBE-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.92
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-6-ylmethanamine?
The IUPAC name of spiro[2.5]octan-6-ylmethanamine (CID 50998995) is spiro[2.5]octan-6-ylmethanamine.
What is the SMILES notation for spiro[2.5]octan-6-ylmethanamine?
The canonical SMILES for spiro[2.5]octan-6-ylmethanamine is NCC1CCC2(CC1)CC2.
What is the InChIKey of spiro[2.5]octan-6-ylmethanamine?
The InChIKey is JEDATJQHUZRDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-7-8-1-3-9(4-2-8)5-6-9/h8H,1-7,10H2.
What are the key properties of spiro[2.5]octan-6-ylmethanamine?
spiro[2.5]octan-6-ylmethanamine has a molecular weight of 139.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.5]octan-6-ylmethanamine is sourced from PubChem (CID 50998995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).