4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane

C13H21N — CID 59502954

IUPAC4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane
SMILESCC1CC2NC1C1C3CCC(CC3)C21
InChIInChI=1S/C13H21N/c1-7-6-10-11-8-2-4-9(5-3-8)12(11)13(7)14-10/h7-14H,2-6H2,1H3
InChIKeyQFQNQUYUNNVASK-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.42
Rot. Bonds

About 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane

4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane (PubChem CID 59502954) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane.

Molecular Properties

Compound Name4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane
PubChem CID59502954
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane
SMILESCC1CC2NC1C1C3CCC(CC3)C21
InChIInChI=1S/C13H21N/c1-7-6-10-11-8-2-4-9(5-3-8)12(11)13(7)14-10/h7-14H,2-6H2,1H3
InChIKeyQFQNQUYUNNVASK-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane?
The IUPAC name of 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane (CID 59502954) is 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane.
What is the SMILES notation for 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane?
The canonical SMILES for 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane is CC1CC2NC1C1C3CCC(CC3)C21.
What is the InChIKey of 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane?
The InChIKey is QFQNQUYUNNVASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-7-6-10-11-8-2-4-9(5-3-8)12(11)13(7)14-10/h7-14H,2-6H2,1H3.
What are the key properties of 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane?
4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane has a molecular weight of 191.32 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-13-azatetracyclo[6.2.2.13,6.02,7]tridecane is sourced from PubChem (CID 59502954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).