(1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane

C11H19N — CID 146166007

IUPAC(1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane
SMILESCN1C[C@H]2CC[C@H]3CCC[C@@H]1[C@H]32
InChIInChI=1S/C11H19N/c1-12-7-9-6-5-8-3-2-4-10(12)11(8)9/h8-11H,2-7H2,1H3/t8-,9-,10-,11-/m1/s1
InChIKeySMMXAHPEECVYBY-GWOFURMSSA-N
MW165.28 g/mol
LogP2.13
Rot. Bonds

About (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane

(1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane (PubChem CID 146166007) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane.

Molecular Properties

Compound Name(1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane
PubChem CID146166007
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane
SMILESCN1C[C@H]2CC[C@H]3CCC[C@@H]1[C@H]32
InChIInChI=1S/C11H19N/c1-12-7-9-6-5-8-3-2-4-10(12)11(8)9/h8-11H,2-7H2,1H3/t8-,9-,10-,11-/m1/s1
InChIKeySMMXAHPEECVYBY-GWOFURMSSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane?
The IUPAC name of (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane (CID 146166007) is (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane.
What is the SMILES notation for (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane?
The canonical SMILES for (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane is CN1C[C@H]2CC[C@H]3CCC[C@@H]1[C@H]32.
What is the InChIKey of (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane?
The InChIKey is SMMXAHPEECVYBY-GWOFURMSSA-N. The full InChI is InChI=1S/C11H19N/c1-12-7-9-6-5-8-3-2-4-10(12)11(8)9/h8-11H,2-7H2,1H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane?
(1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane has a molecular weight of 165.28 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R,11R)-2-methyl-2-azatricyclo[5.3.1.04,11]undecane is sourced from PubChem (CID 146166007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).