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

C15H25N3 — CID 10658154

IUPAC(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
SMILESCCC[C@@]1(C#N)C[C@H]2CCCCN2[C@H]2CCCN21
InChIInChI=1S/C15H25N3/c1-2-8-15(12-16)11-13-6-3-4-9-17(13)14-7-5-10-18(14)15/h13-14H,2-11H2,1H3/t13-,14-,15+/m1/s1
InChIKeyKDQBLKUUCIWNKD-KFWWJZLASA-N
MW247.39 g/mol
LogP2.73
Rot. Bonds2

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

(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile (PubChem CID 10658154) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile.

Molecular Properties

Compound Name(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
PubChem CID10658154
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
SMILESCCC[C@@]1(C#N)C[C@H]2CCCCN2[C@H]2CCCN21
InChIInChI=1S/C15H25N3/c1-2-8-15(12-16)11-13-6-3-4-9-17(13)14-7-5-10-18(14)15/h13-14H,2-11H2,1H3/t13-,14-,15+/m1/s1
InChIKeyKDQBLKUUCIWNKD-KFWWJZLASA-N
XLogP2.73
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
CID 14565958
(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
CID 10681162
7-piperidin-1-yl-2,3,5,6,8,8a-hexahydro-1H-indolizine-7-carbonitrile
CID 81610972

Frequently Asked Questions

What is the IUPAC name of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile?
The IUPAC name of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile (CID 10658154) is (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile.
What is the SMILES notation for (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile?
The canonical SMILES for (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile is CCC[C@@]1(C#N)C[C@H]2CCCCN2[C@H]2CCCN21.
What is the InChIKey of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile?
The InChIKey is KDQBLKUUCIWNKD-KFWWJZLASA-N. The full InChI is InChI=1S/C15H25N3/c1-2-8-15(12-16)11-13-6-3-4-9-17(13)14-7-5-10-18(14)15/h13-14H,2-11H2,1H3/t13-,14-,15+/m1/s1.
What are the key properties of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile?
(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile has a molecular weight of 247.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile is sourced from PubChem (CID 10658154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).