(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane

C14H26N2 — CID 10867899

IUPAC(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
SMILESCCC[C@@H]1C[C@H]2CCCCN2[C@H]2CCCN12
InChIInChI=1S/C14H26N2/c1-2-6-12-11-13-7-3-4-9-15(13)14-8-5-10-16(12)14/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeyLYCOMYYBFDXJFS-MGPQQGTHSA-N
MW222.38 g/mol
LogP2.84
Rot. Bonds2

About (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane

(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane (PubChem CID 10867899) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane.

Molecular Properties

Compound Name(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
PubChem CID10867899
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
SMILESCCC[C@@H]1C[C@H]2CCCCN2[C@H]2CCCN12
InChIInChI=1S/C14H26N2/c1-2-6-12-11-13-7-3-4-9-15(13)14-8-5-10-16(12)14/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeyLYCOMYYBFDXJFS-MGPQQGTHSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane?
The IUPAC name of (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane (CID 10867899) is (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane.
What is the SMILES notation for (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane?
The canonical SMILES for (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane is CCC[C@@H]1C[C@H]2CCCCN2[C@H]2CCCN12.
What is the InChIKey of (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane?
The InChIKey is LYCOMYYBFDXJFS-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-6-12-11-13-7-3-4-9-15(13)14-8-5-10-16(12)14/h12-14H,2-11H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane?
(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane has a molecular weight of 222.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane is sourced from PubChem (CID 10867899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).