4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane

C13H21N — CID 44590877

IUPAC4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESCN1CCC23CC4CC(CC(C4)C12)C3
InChIInChI=1S/C13H21N/c1-14-3-2-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-12H,2-8H2,1H3
InChIKeyYLLZAPJMOSMNFZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.52
Rot. Bonds

About 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane

4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane (PubChem CID 44590877) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane.

Molecular Properties

Compound Name4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane
PubChem CID44590877
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane
SMILESCN1CCC23CC4CC(CC(C4)C12)C3
InChIInChI=1S/C13H21N/c1-14-3-2-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-12H,2-8H2,1H3
InChIKeyYLLZAPJMOSMNFZ-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The IUPAC name of 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane (CID 44590877) is 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane.
What is the SMILES notation for 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The canonical SMILES for 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane is CN1CCC23CC4CC(CC(C4)C12)C3.
What is the InChIKey of 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
The InChIKey is YLLZAPJMOSMNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-14-3-2-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-12H,2-8H2,1H3.
What are the key properties of 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane?
4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane has a molecular weight of 191.32 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-azatetracyclo[6.3.1.16,10.01,5]tridecane is sourced from PubChem (CID 44590877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).