4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride

C12H20ClN — CID 90644912

IUPAC4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride
SMILESC1CC2C1C1CCC2C2CNCC12.Cl
InChIInChI=1S/C12H19N.ClH/c1-2-8-7(1)9-3-4-10(8)12-6-13-5-11(9)12;/h7-13H,1-6H2;1H
InChIKeyWVKLNTPGDJQVPV-UHFFFAOYSA-N
MW213.75 g/mol
LogP2.31
Rot. Bonds

About 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride

4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride (PubChem CID 90644912) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride.

Molecular Properties

Compound Name4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride
PubChem CID90644912
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride
SMILESC1CC2C1C1CCC2C2CNCC12.Cl
InChIInChI=1S/C12H19N.ClH/c1-2-8-7(1)9-3-4-10(8)12-6-13-5-11(9)12;/h7-13H,1-6H2;1H
InChIKeyWVKLNTPGDJQVPV-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride?
The IUPAC name of 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride (CID 90644912) is 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride.
What is the SMILES notation for 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride?
The canonical SMILES for 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride is C1CC2C1C1CCC2C2CNCC12.Cl.
What is the InChIKey of 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride?
The InChIKey is WVKLNTPGDJQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.ClH/c1-2-8-7(1)9-3-4-10(8)12-6-13-5-11(9)12;/h7-13H,1-6H2;1H.
What are the key properties of 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride?
4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride has a molecular weight of 213.75 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatetracyclo[5.4.2.02,6.08,11]tridecane;hydrochloride is sourced from PubChem (CID 90644912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).