3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide

C24H29BrN2 — CID 173116367

IUPAC3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide
SMILESBr.CC1C(CC(C#N)(c2ccccc2)c2ccccc2)CC2CCC1N2C
InChIInChI=1S/C24H28N2.BrH/c1-18-19(15-22-13-14-23(18)26(22)2)16-24(17-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,18-19,22-23H,13-16H2,1-2H3;1H
InChIKeySENJLMQJLYQUFN-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.58
Rot. Bonds4

About 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide

3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide (PubChem CID 173116367) has the molecular formula C24H29BrN2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide.

Molecular Properties

Compound Name3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide
PubChem CID173116367
Molecular FormulaC24H29BrN2
Molecular Weight425.41 g/mol
Exact Mass424.15
IUPAC Name3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide
SMILESBr.CC1C(CC(C#N)(c2ccccc2)c2ccccc2)CC2CCC1N2C
InChIInChI=1S/C24H28N2.BrH/c1-18-19(15-22-13-14-23(18)26(22)2)16-24(17-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,18-19,22-23H,13-16H2,1-2H3;1H
InChIKeySENJLMQJLYQUFN-UHFFFAOYSA-N
XLogP5.58
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide with MolForge

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Related Compounds

3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile
CID 56665993
3-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile
CID 11582653
3-[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile bromide
CID 46174144
4-(6-hydroxy-2-azabicyclo[2.2.2]octan-2-yl)-2,2-diphenylbutanenitrile
CID 21447135
2-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1,1-diphenylethanol
CID 45271007
3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropan-1-ol
CID 11404914
(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol
CID 124932656
N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide
CID 70238920
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 11776555
3-(8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile bromide
CID 11306622
3-(2-methyl-2-azabicyclo[3.2.1]octan-3-yl)-2,2-dithiophen-2-ylpropanenitrile
CID 69187104
3-[(6S,7aS)-1,1-dimethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ium-6-yl]-2,2-diphenylpropanenitrile
CID 71028670

Frequently Asked Questions

What is the IUPAC name of 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide?
The IUPAC name of 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide (CID 173116367) is 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide.
What is the SMILES notation for 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide?
The canonical SMILES for 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide is Br.CC1C(CC(C#N)(c2ccccc2)c2ccccc2)CC2CCC1N2C.
What is the InChIKey of 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide?
The InChIKey is SENJLMQJLYQUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2.BrH/c1-18-19(15-22-13-14-23(18)26(22)2)16-24(17-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,18-19,22-23H,13-16H2,1-2H3;1H.
What are the key properties of 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide?
3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide has a molecular weight of 425.41 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile;hydrobromide is sourced from PubChem (CID 173116367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).