5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile

C11H16N2 — CID 15723746

IUPAC5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile
SMILESCC12CC3CN(C1)CC(C#N)(C3)C2
InChIInChI=1S/C11H16N2/c1-10-2-9-3-11(5-10,6-12)8-13(4-9)7-10/h9H,2-5,7-8H2,1H3
InChIKeyDSOPGCNQNGKTPI-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.63
Rot. Bonds

About 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile

5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile (PubChem CID 15723746) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile
PubChem CID15723746
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile
SMILESCC12CC3CN(C1)CC(C#N)(C3)C2
InChIInChI=1S/C11H16N2/c1-10-2-9-3-11(5-10,6-12)8-13(4-9)7-10/h9H,2-5,7-8H2,1H3
InChIKeyDSOPGCNQNGKTPI-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile?
The IUPAC name of 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile (CID 15723746) is 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile.
What is the SMILES notation for 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile?
The canonical SMILES for 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile is CC12CC3CN(C1)CC(C#N)(C3)C2.
What is the InChIKey of 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile?
The InChIKey is DSOPGCNQNGKTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-10-2-9-3-11(5-10,6-12)8-13(4-9)7-10/h9H,2-5,7-8H2,1H3.
What are the key properties of 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile?
5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-azatricyclo[3.3.1.13,7]decane-3-carbonitrile is sourced from PubChem (CID 15723746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).