spiro[3.4]octan-2-ylmethanamine

C9H17N — CID 65001978

IUPACspiro[3.4]octan-2-ylmethanamine
SMILESNCC1CC2(CCCC2)C1
InChIInChI=1S/C9H17N/c10-7-8-5-9(6-8)3-1-2-4-9/h8H,1-7,10H2
InChIKeyRVPGSXOWEVLTCF-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.92
Rot. Bonds1

About spiro[3.4]octan-2-ylmethanamine

spiro[3.4]octan-2-ylmethanamine (PubChem CID 65001978) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is spiro[3.4]octan-2-ylmethanamine.

Molecular Properties

Compound Namespiro[3.4]octan-2-ylmethanamine
PubChem CID65001978
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namespiro[3.4]octan-2-ylmethanamine
SMILESNCC1CC2(CCCC2)C1
InChIInChI=1S/C9H17N/c10-7-8-5-9(6-8)3-1-2-4-9/h8H,1-7,10H2
InChIKeyRVPGSXOWEVLTCF-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

Analyze spiro[3.4]octan-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[3.4]octan-2-ylmethanamine?
The IUPAC name of spiro[3.4]octan-2-ylmethanamine (CID 65001978) is spiro[3.4]octan-2-ylmethanamine.
What is the SMILES notation for spiro[3.4]octan-2-ylmethanamine?
The canonical SMILES for spiro[3.4]octan-2-ylmethanamine is NCC1CC2(CCCC2)C1.
What is the InChIKey of spiro[3.4]octan-2-ylmethanamine?
The InChIKey is RVPGSXOWEVLTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-7-8-5-9(6-8)3-1-2-4-9/h8H,1-7,10H2.
What are the key properties of spiro[3.4]octan-2-ylmethanamine?
spiro[3.4]octan-2-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[3.4]octan-2-ylmethanamine is sourced from PubChem (CID 65001978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).