4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile

C18H25N3 — CID 116692504

IUPAC4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCN1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C18H25N3/c1-2-20-18(14-19,16-6-4-3-5-7-16)10-11-21-13-15-8-9-17(21)12-15/h3-7,15,17,20H,2,8-13H2,1H3
InChIKeyIVIZVQHQUYZKOF-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.89
Rot. Bonds6

About 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile

4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile (PubChem CID 116692504) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile.

Molecular Properties

Compound Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile
PubChem CID116692504
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile
SMILESCCNC(C#N)(CCN1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C18H25N3/c1-2-20-18(14-19,16-6-4-3-5-7-16)10-11-21-13-15-8-9-17(21)12-15/h3-7,15,17,20H,2,8-13H2,1H3
InChIKeyIVIZVQHQUYZKOF-UHFFFAOYSA-N
XLogP2.89
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 116692329
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
2-(ethylamino)-4-(oxan-4-ylsulfanyl)-2-phenylbutanenitrile
CID 116693325
4-(2,4-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692553
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
CID 116692941
3-(cyclopentylmethylsulfanyl)-2-(ethylamino)-2-phenylpropanenitrile
CID 63120185
4-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)-2-phenylbutanenitrile
CID 116692549
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanenitrile
CID 55041215
4-(6-hydroxy-2-azabicyclo[2.2.2]octan-2-yl)-2,2-diphenylbutanenitrile
CID 21447135

Frequently Asked Questions

What is the IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile?
The IUPAC name of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile (CID 116692504) is 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile.
What is the SMILES notation for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile?
The canonical SMILES for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile is CCNC(C#N)(CCN1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile?
The InChIKey is IVIZVQHQUYZKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-20-18(14-19,16-6-4-3-5-7-16)10-11-21-13-15-8-9-17(21)12-15/h3-7,15,17,20H,2,8-13H2,1H3.
What are the key properties of 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile?
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile has a molecular weight of 283.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-phenylbutanenitrile is sourced from PubChem (CID 116692504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).