spiro[5.5]undecan-3-ylmethanamine

C12H23N — CID 56639660

IUPACspiro[5.5]undecan-3-ylmethanamine
SMILESNCC1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H23N/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h11H,1-10,13H2
InChIKeyWJWJUXLLYMXVCZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.09
Rot. Bonds1

About spiro[5.5]undecan-3-ylmethanamine

spiro[5.5]undecan-3-ylmethanamine (PubChem CID 56639660) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is spiro[5.5]undecan-3-ylmethanamine.

Molecular Properties

Compound Namespiro[5.5]undecan-3-ylmethanamine
PubChem CID56639660
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Namespiro[5.5]undecan-3-ylmethanamine
SMILESNCC1CCC2(CCCCC2)CC1
InChIInChI=1S/C12H23N/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h11H,1-10,13H2
InChIKeyWJWJUXLLYMXVCZ-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze spiro[5.5]undecan-3-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[5.5]undecan-3-ylmethanamine?
The IUPAC name of spiro[5.5]undecan-3-ylmethanamine (CID 56639660) is spiro[5.5]undecan-3-ylmethanamine.
What is the SMILES notation for spiro[5.5]undecan-3-ylmethanamine?
The canonical SMILES for spiro[5.5]undecan-3-ylmethanamine is NCC1CCC2(CCCCC2)CC1.
What is the InChIKey of spiro[5.5]undecan-3-ylmethanamine?
The InChIKey is WJWJUXLLYMXVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c13-10-11-4-8-12(9-5-11)6-2-1-3-7-12/h11H,1-10,13H2.
What are the key properties of spiro[5.5]undecan-3-ylmethanamine?
spiro[5.5]undecan-3-ylmethanamine has a molecular weight of 181.32 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.5]undecan-3-ylmethanamine is sourced from PubChem (CID 56639660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).