tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride

C11H20ClN — CID 23333872

IUPACtricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride
SMILESCl.NC12CCCC(C1)C1CCC2C1
InChIInChI=1S/C11H19N.ClH/c12-11-5-1-2-9(7-11)8-3-4-10(11)6-8;/h8-10H,1-7,12H2;1H
InChIKeyGVGLJVJPPTWWMU-UHFFFAOYSA-N
MW201.74 g/mol
LogP2.73
Rot. Bonds

About tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride

tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride (PubChem CID 23333872) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride.

Molecular Properties

Compound Nametricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride
PubChem CID23333872
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Nametricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride
SMILESCl.NC12CCCC(C1)C1CCC2C1
InChIInChI=1S/C11H19N.ClH/c12-11-5-1-2-9(7-11)8-3-4-10(11)6-8;/h8-10H,1-7,12H2;1H
InChIKeyGVGLJVJPPTWWMU-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride?
The IUPAC name of tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride (CID 23333872) is tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride.
What is the SMILES notation for tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride?
The canonical SMILES for tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride is Cl.NC12CCCC(C1)C1CCC2C1.
What is the InChIKey of tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride?
The InChIKey is GVGLJVJPPTWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.ClH/c12-11-5-1-2-9(7-11)8-3-4-10(11)6-8;/h8-10H,1-7,12H2;1H.
What are the key properties of tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride?
tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride has a molecular weight of 201.74 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.3.1.12,5]undecan-1-amine;hydrochloride is sourced from PubChem (CID 23333872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).