8-bicyclo[4.3.3]dodecanylmethanamine

C13H25N — CID 170362758

IUPAC8-bicyclo[4.3.3]dodecanylmethanamine
SMILESNCC1CC2CCCCC(CCC2)C1
InChIInChI=1S/C13H25N/c14-10-13-8-11-4-1-2-5-12(9-13)7-3-6-11/h11-13H,1-10,14H2
InChIKeyXAGSKLWSUNPRFA-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.33
Rot. Bonds1

About 8-bicyclo[4.3.3]dodecanylmethanamine

8-bicyclo[4.3.3]dodecanylmethanamine (PubChem CID 170362758) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 8-bicyclo[4.3.3]dodecanylmethanamine.

Molecular Properties

Compound Name8-bicyclo[4.3.3]dodecanylmethanamine
PubChem CID170362758
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name8-bicyclo[4.3.3]dodecanylmethanamine
SMILESNCC1CC2CCCCC(CCC2)C1
InChIInChI=1S/C13H25N/c14-10-13-8-11-4-1-2-5-12(9-13)7-3-6-11/h11-13H,1-10,14H2
InChIKeyXAGSKLWSUNPRFA-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bicyclo[4.3.3]dodecanylmethanamine?
The IUPAC name of 8-bicyclo[4.3.3]dodecanylmethanamine (CID 170362758) is 8-bicyclo[4.3.3]dodecanylmethanamine.
What is the SMILES notation for 8-bicyclo[4.3.3]dodecanylmethanamine?
The canonical SMILES for 8-bicyclo[4.3.3]dodecanylmethanamine is NCC1CC2CCCCC(CCC2)C1.
What is the InChIKey of 8-bicyclo[4.3.3]dodecanylmethanamine?
The InChIKey is XAGSKLWSUNPRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c14-10-13-8-11-4-1-2-5-12(9-13)7-3-6-11/h11-13H,1-10,14H2.
What are the key properties of 8-bicyclo[4.3.3]dodecanylmethanamine?
8-bicyclo[4.3.3]dodecanylmethanamine has a molecular weight of 195.35 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bicyclo[4.3.3]dodecanylmethanamine is sourced from PubChem (CID 170362758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).