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

C14H23N3 — CID 10681162

IUPAC(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
SMILESCCC[C@@]1(C#N)C[C@H]2CCCN2[C@H]2CCCN21
InChIInChI=1S/C14H23N3/c1-2-7-14(11-15)10-12-5-3-8-16(12)13-6-4-9-17(13)14/h12-13H,2-10H2,1H3/t12-,13-,14+/m1/s1
InChIKeyLTSMJHYOGNGAIU-MCIONIFRSA-N
MW233.36 g/mol
LogP2.34
Rot. Bonds2

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

(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile (PubChem CID 10681162) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile.

Molecular Properties

Compound Name(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
PubChem CID10681162
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
SMILESCCC[C@@]1(C#N)C[C@H]2CCCN2[C@H]2CCCN21
InChIInChI=1S/C14H23N3/c1-2-7-14(11-15)10-12-5-3-8-16(12)13-6-4-9-17(13)14/h12-13H,2-10H2,1H3/t12-,13-,14+/m1/s1
InChIKeyLTSMJHYOGNGAIU-MCIONIFRSA-N
XLogP2.34
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,7S,9R)-7-pentyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
CID 10563387
(2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
CID 10487960
(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
CID 10658154
(2R,5S,7R,8S,9S,12S)-5,12-diethyl-7,8-dimethyl-1,6-diazatricyclo[7.3.0.02,6]dodecane
CID 11218924
(2R,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
CID 11469570
7-(dimethylamino)-2,3,5,6,8,8a-hexahydro-1H-indolizine-7-carbonitrile
CID 81610605
7-(diethylamino)-2,3,5,6,8,8a-hexahydro-1H-indolizine-7-carbonitrile
CID 81610720
7-pyrrolidin-1-yl-2,3,5,6,8,8a-hexahydro-1H-indolizine-7-carbonitrile
CID 81610844
1-pyrrolidin-1-yl-3,5,6,7,8,8a-hexahydro-2H-indolizine-1-carbonitrile
CID 81886267

Frequently Asked Questions

What is the IUPAC name of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile?
The IUPAC name of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile (CID 10681162) is (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile.
What is the SMILES notation for (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile?
The canonical SMILES for (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile is CCC[C@@]1(C#N)C[C@H]2CCCN2[C@H]2CCCN21.
What is the InChIKey of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile?
The InChIKey is LTSMJHYOGNGAIU-MCIONIFRSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-7-14(11-15)10-12-5-3-8-16(12)13-6-4-9-17(13)14/h12-13H,2-10H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of (2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile?
(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile has a molecular weight of 233.36 g/mol, XLogP of 2.34, 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[7.3.0.02,6]dodecane-7-carbonitrile is sourced from PubChem (CID 10681162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).