(1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene

C11H18N2 — CID 59857945

IUPAC(1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene
SMILESCC1(C)C[C@H]2NC1C[C@H]1NC=C[C@@H]12
InChIInChI=1S/C11H18N2/c1-11(2)6-9-7-3-4-12-8(7)5-10(11)13-9/h3-4,7-10,12-13H,5-6H2,1-2H3/t7-,8+,9+,10?/m0/s1
InChIKeySZDIFTKGVCLEFH-UWOKOIHUSA-N
MW178.28 g/mol
LogP1.25
Rot. Bonds

About (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene

(1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene (PubChem CID 59857945) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene.

Molecular Properties

Compound Name(1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene
PubChem CID59857945
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene
SMILESCC1(C)C[C@H]2NC1C[C@H]1NC=C[C@@H]12
InChIInChI=1S/C11H18N2/c1-11(2)6-9-7-3-4-12-8(7)5-10(11)13-9/h3-4,7-10,12-13H,5-6H2,1-2H3/t7-,8+,9+,10?/m0/s1
InChIKeySZDIFTKGVCLEFH-UWOKOIHUSA-N
XLogP1.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene?
The IUPAC name of (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene (CID 59857945) is (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene.
What is the SMILES notation for (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene?
The canonical SMILES for (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene is CC1(C)C[C@H]2NC1C[C@H]1NC=C[C@@H]12.
What is the InChIKey of (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene?
The InChIKey is SZDIFTKGVCLEFH-UWOKOIHUSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2)6-9-7-3-4-12-8(7)5-10(11)13-9/h3-4,7-10,12-13H,5-6H2,1-2H3/t7-,8+,9+,10?/m0/s1.
What are the key properties of (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene?
(1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene has a molecular weight of 178.28 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene is sourced from PubChem (CID 59857945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).