(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane

C13H24N2 — CID 15287019

IUPAC(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
SMILESCCC[C@H]1C[C@H]2CCCN2[C@@H]2CCCN12
InChIInChI=1S/C13H24N2/c1-2-5-11-10-12-6-3-8-15(12)13-7-4-9-14(11)13/h11-13H,2-10H2,1H3/t11-,12+,13+/m0/s1
InChIKeyVJJWHOBPDFRQRH-YNEHKIRRSA-N
MW208.35 g/mol
LogP2.45
Rot. Bonds2

About (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane

(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane (PubChem CID 15287019) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane.

Molecular Properties

Compound Name(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
PubChem CID15287019
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
SMILESCCC[C@H]1C[C@H]2CCCN2[C@@H]2CCCN12
InChIInChI=1S/C13H24N2/c1-2-5-11-10-12-6-3-8-15(12)13-7-4-9-14(11)13/h11-13H,2-10H2,1H3/t11-,12+,13+/m0/s1
InChIKeyVJJWHOBPDFRQRH-YNEHKIRRSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane?
The IUPAC name of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane (CID 15287019) is (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane.
What is the SMILES notation for (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane?
The canonical SMILES for (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane is CCC[C@H]1C[C@H]2CCCN2[C@@H]2CCCN12.
What is the InChIKey of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane?
The InChIKey is VJJWHOBPDFRQRH-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-5-11-10-12-6-3-8-15(12)13-7-4-9-14(11)13/h11-13H,2-10H2,1H3/t11-,12+,13+/m0/s1.
What are the key properties of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane?
(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane has a molecular weight of 208.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane is sourced from PubChem (CID 15287019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).